2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol

C32H38O2 — CID 141095493

IUPAC2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(c2cccc(O)c2C2CCCCC2)c2cccc(O)c2C2CCCCC2)cc1
InChIInChI=1S/C32H38O2/c1-22-18-20-25(21-19-22)30(26-14-8-16-28(33)31(26)23-10-4-2-5-11-23)27-15-9-17-29(34)32(27)24-12-6-3-7-13-24/h8-9,14-21,23-24,30,33-34H,2-7,10-13H2,1H3
InChIKeyBBFRXJYXKYWZKT-UHFFFAOYSA-N
MW454.65 g/mol
LogP8.68
Rot. Bonds5

About 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol

2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol (PubChem CID 141095493) has the molecular formula C32H38O2 and a molecular weight of 454.65 g/mol. Its IUPAC name is 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol
PubChem CID141095493
Molecular FormulaC32H38O2
Molecular Weight454.65 g/mol
Exact Mass454.29
IUPAC Name2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol
SMILESCc1ccc(C(c2cccc(O)c2C2CCCCC2)c2cccc(O)c2C2CCCCC2)cc1
InChIInChI=1S/C32H38O2/c1-22-18-20-25(21-19-22)30(26-14-8-16-28(33)31(26)23-10-4-2-5-11-23)27-15-9-17-29(34)32(27)24-12-6-3-7-13-24/h8-9,14-21,23-24,30,33-34H,2-7,10-13H2,1H3
InChIKeyBBFRXJYXKYWZKT-UHFFFAOYSA-N
XLogP8.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.65
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol
CID 139476041
2-cyclohexyl-3-[2-(2-cyclohexyl-3-hydroxyphenyl)propan-2-yl]phenol
CID 22643834
2-cycloheptyl-5-methylphenol
CID 45096882
2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
CID 165040485
2-cyclopentyl-3-fluorophenol
CID 117104118
2-cyclohexyl-3-hydroxybenzoic acid
CID 141251925
2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol
CID 139696623
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
2,3-dicyclohexylphenol;4-phenylphenol
CID 68975565
2,6-dicyclohexyl-3-methylphenol
CID 3022567
2-cyclohexyl-6-propan-2-ylphenol
CID 3058302
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol?
The IUPAC name of 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol (CID 141095493) is 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol.
What is the SMILES notation for 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol?
The canonical SMILES for 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol is Cc1ccc(C(c2cccc(O)c2C2CCCCC2)c2cccc(O)c2C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol?
The InChIKey is BBFRXJYXKYWZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O2/c1-22-18-20-25(21-19-22)30(26-14-8-16-28(33)31(26)23-10-4-2-5-11-23)27-15-9-17-29(34)32(27)24-12-6-3-7-13-24/h8-9,14-21,23-24,30,33-34H,2-7,10-13H2,1H3.
What are the key properties of 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol?
2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol has a molecular weight of 454.65 g/mol, XLogP of 8.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol is sourced from PubChem (CID 141095493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).