4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol

C32H40O2 — CID 19429970

IUPAC4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol
SMILESCCCCCCCCc1ccc(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C32H40O2/c1-2-3-4-5-6-7-8-25-9-11-26(12-10-25)27-21-23-32(24-22-27,28-13-17-30(33)18-14-28)29-15-19-31(34)20-16-29/h9-20,27,33-34H,2-8,21-24H2,1H3
InChIKeyWOSFPQHHJKOFDK-UHFFFAOYSA-N
MW456.67 g/mol
LogP8.64
Rot. Bonds10

About 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol

4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol (PubChem CID 19429970) has the molecular formula C32H40O2 and a molecular weight of 456.67 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol
PubChem CID19429970
Molecular FormulaC32H40O2
Molecular Weight456.67 g/mol
Exact Mass456.30
IUPAC Name4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol
SMILESCCCCCCCCc1ccc(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C32H40O2/c1-2-3-4-5-6-7-8-25-9-11-26(12-10-25)27-21-23-32(24-22-27,28-13-17-30(33)18-14-28)29-15-19-31(34)20-16-29/h9-20,27,33-34H,2-8,21-24H2,1H3
InChIKeyWOSFPQHHJKOFDK-UHFFFAOYSA-N
XLogP8.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 58.64
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

1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
tris(4-octylphenol);propane
CID 90866185
CID 162318522
CID 162318522
nickel;4-octylphenol
CID 87833867
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
CID 25009740
4-cyclohexyl-N-[4-(4-octylphenyl)phenyl]-N-[4-[1-[4-(N-[4-(4-octylphenyl)phenyl]anilino)phenyl]cyclohexyl]phenyl]aniline
CID 164800977
barium(2+);hydride;4-nonylphenol
CID 173156845
calcium;hydride;4-tetradecylphenol
CID 174582359
calcium;hydride;4-octylphenol
CID 173256756
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-octyl-4-(4-octylphenyl)cyclohexane-1-carbonitrile
CID 18636156

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol (CID 19429970) is 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol is CCCCCCCCc1ccc(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol?
The InChIKey is WOSFPQHHJKOFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O2/c1-2-3-4-5-6-7-8-25-9-11-26(12-10-25)27-21-23-32(24-22-27,28-13-17-30(33)18-14-28)29-15-19-31(34)20-16-29/h9-20,27,33-34H,2-8,21-24H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol?
4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol has a molecular weight of 456.67 g/mol, XLogP of 8.64, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-(4-octylphenyl)cyclohexyl]phenol is sourced from PubChem (CID 19429970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).