EPT

HEPTANYL-P-PHENOL

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where EPT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of EPT

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Chemical Component Summary
Name	HEPTANYL-P-PHENOL
Systematic Name (OpenEye OEToolkits)	4-heptylphenol
Formula	C₁₃ H₂₀ O
Molecular Weight	192.297
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1ccc(cc1)CCCCCCC
SMILES	CACTVS	3.341	CCCCCCCc1ccc(O)cc1
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCc1ccc(cc1)O
Canonical SMILES	CACTVS	3.341	CCCCCCCc1ccc(O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCc1ccc(cc1)O
InChI	InChI	1.03	InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3
InChIKey	InChI	1.03	KNDDEFBFJLKPFE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03941
Name	p-Heptylphenol
Groups	experimental
Synonyms	4-n-Heptylphenol 4-Heptylphenol p-Hydroxyheptylbenzene p-Heptylphenol
CAS number	1987-50-4

Related Resource References

Resource Name	Reference
PubChem	16143
ChEMBL	CHEMBL149752
ChEBI	CHEBI:34438

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