2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol

C37H34O4 — CID 139476041

IUPAC2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol
SMILESOc1ccccc1-c1cccc(C(c2ccc(C3CCCCC3)cc2)c2cccc(-c3ccccc3O)c2O)c1O
InChIInChI=1S/C37H34O4/c38-33-18-6-4-12-27(33)29-14-8-16-31(36(29)40)35(26-22-20-25(21-23-26)24-10-2-1-3-11-24)32-17-9-15-30(37(32)41)28-13-5-7-19-34(28)39/h4-9,12-24,35,38-41H,1-3,10-11H2
InChIKeyLCHOFKDGKCXAOO-UHFFFAOYSA-N
MW542.68 g/mol
LogP9.07
Rot. Bonds6

About 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol

2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol (PubChem CID 139476041) has the molecular formula C37H34O4 and a molecular weight of 542.68 g/mol. Its IUPAC name is 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol
PubChem CID139476041
Molecular FormulaC37H34O4
Molecular Weight542.68 g/mol
Exact Mass542.25
IUPAC Name2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol
SMILESOc1ccccc1-c1cccc(C(c2ccc(C3CCCCC3)cc2)c2cccc(-c3ccccc3O)c2O)c1O
InChIInChI=1S/C37H34O4/c38-33-18-6-4-12-27(33)29-14-8-16-31(36(29)40)35(26-22-20-25(21-23-26)24-10-2-1-3-11-24)32-17-9-15-30(37(32)41)28-13-5-7-19-34(28)39/h4-9,12-24,35,38-41H,1-3,10-11H2
InChIKeyLCHOFKDGKCXAOO-UHFFFAOYSA-N
XLogP9.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 59.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-3-[(2-cyclohexyl-3-hydroxyphenyl)-(4-methylphenyl)methyl]phenol
CID 141095493
2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
CID 165040485
(4-cyclohexylphenyl)-(2-fluorophenyl)methanamine
CID 43093339
1-[bromo-(4-cyclohexylphenyl)methyl]-2-iodobenzene
CID 63440775
4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol
CID 157324960
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
2-cyclohexyl-4-[[5-cyclohexyl-2-(9H-fluoren-1-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methyl]-5-(9H-fluoren-1-yl)phenol
CID 160991306
3-[2-(2-hydroxyphenyl)phenyl]benzene-1,2-diol
CID 71046395
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
CID 159076923
CID 159076923
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol
CID 164762184

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol?
The IUPAC name of 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol (CID 139476041) is 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol?
The canonical SMILES for 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol is Oc1ccccc1-c1cccc(C(c2ccc(C3CCCCC3)cc2)c2cccc(-c3ccccc3O)c2O)c1O.
What is the InChIKey of 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol?
The InChIKey is LCHOFKDGKCXAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34O4/c38-33-18-6-4-12-27(33)29-14-8-16-31(36(29)40)35(26-22-20-25(21-23-26)24-10-2-1-3-11-24)32-17-9-15-30(37(32)41)28-13-5-7-19-34(28)39/h4-9,12-24,35,38-41H,1-3,10-11H2.
What are the key properties of 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol?
2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol has a molecular weight of 542.68 g/mol, XLogP of 9.07, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol is sourced from PubChem (CID 139476041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).