4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol

C25H32O2 — CID 139944982

IUPAC4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol
SMILESCCCCCC(C)(c1ccc(O)cc1)C1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C25H32O2/c1-3-4-5-18-25(2,22-12-16-24(27)17-13-22)21-10-6-19(7-11-21)20-8-14-23(26)15-9-20/h6,8-9,12-17,21,26-27H,3-5,7,10-11,18H2,1-2H3
InChIKeyVUSHVAGIWOQQHQ-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.82
Rot. Bonds7

About 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol

4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol (PubChem CID 139944982) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol
PubChem CID139944982
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol
SMILESCCCCCC(C)(c1ccc(O)cc1)C1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C25H32O2/c1-3-4-5-18-25(2,22-12-16-24(27)17-13-22)21-10-6-19(7-11-21)20-8-14-23(26)15-9-20/h6,8-9,12-17,21,26-27H,3-5,7,10-11,18H2,1-2H3
InChIKeyVUSHVAGIWOQQHQ-UHFFFAOYSA-N
XLogP6.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol
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4-(2-hydroxyheptan-2-yl)phenol
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4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
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CID 68964944
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol
CID 142671500
2-[4-[4-(cyanomethyl)phenyl]cyclohex-3-en-1-yl]hexane-2-sulfonamide
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4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
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CID 174541966

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol?
The IUPAC name of 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol (CID 139944982) is 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol is CCCCCC(C)(c1ccc(O)cc1)C1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol?
The InChIKey is VUSHVAGIWOQQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O2/c1-3-4-5-18-25(2,22-12-16-24(27)17-13-22)21-10-6-19(7-11-21)20-8-14-23(26)15-9-20/h6,8-9,12-17,21,26-27H,3-5,7,10-11,18H2,1-2H3.
What are the key properties of 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol?
4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol has a molecular weight of 364.53 g/mol, XLogP of 6.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol is sourced from PubChem (CID 139944982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).