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

C25H32O2 — CID 139945026

IUPAC4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol
SMILESCCC(C)CC(C)(c1ccc(O)cc1)C1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C25H32O2/c1-4-18(2)17-25(3,22-11-15-24(27)16-12-22)21-9-5-19(6-10-21)20-7-13-23(26)14-8-20/h5,7-8,11-16,18,21,26-27H,4,6,9-10,17H2,1-3H3
InChIKeyUBTLFSSEBNTELG-UHFFFAOYSA-N
MW364.53 g/mol
LogP6.68
Rot. Bonds6

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

4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol (PubChem CID 139945026) has the molecular formula C25H32O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol
PubChem CID139945026
Molecular FormulaC25H32O2
Molecular Weight364.53 g/mol
Exact Mass364.24
IUPAC Name4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol
SMILESCCC(C)CC(C)(c1ccc(O)cc1)C1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C25H32O2/c1-4-18(2)17-25(3,22-11-15-24(27)16-12-22)21-9-5-19(6-10-21)20-7-13-23(26)14-8-20/h5,7-8,11-16,18,21,26-27H,4,6,9-10,17H2,1-3H3
InChIKeyUBTLFSSEBNTELG-UHFFFAOYSA-N
XLogP6.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[2-(4-hydroxyphenyl)heptan-2-yl]cyclohexen-1-yl]phenol
CID 139944982
4-[4-[2-(4-hydroxyphenyl)nonan-2-yl]cyclohexen-1-yl]phenol
CID 139944963
4-(2,3,5-trimethylheptan-3-yl)phenol
CID 102065619
1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
CID 90705107
1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone
CID 10422561
4-(2,3,4-trimethylhexan-3-yl)phenol
CID 91753334
4-(4-cyclohexylcyclohexen-1-yl)phenol
CID 139920230
1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene
CID 20538151
(2R)-2-(4-fluorophenyl)-1-[[(1S)-4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]propan-2-ol
CID 97261465
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
CID 14610889
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 160883594

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol?
The IUPAC name of 4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol (CID 139945026) is 4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol is CCC(C)CC(C)(c1ccc(O)cc1)C1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol?
The InChIKey is UBTLFSSEBNTELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O2/c1-4-18(2)17-25(3,22-11-15-24(27)16-12-22)21-9-5-19(6-10-21)20-7-13-23(26)14-8-20/h5,7-8,11-16,18,21,26-27H,4,6,9-10,17H2,1-3H3.
What are the key properties of 4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol?
4-[4-[2-(4-hydroxyphenyl)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol has a molecular weight of 364.53 g/mol, XLogP of 6.68, 6 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)-4-methylhexan-2-yl]cyclohexen-1-yl]phenol is sourced from PubChem (CID 139945026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).