2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane

C41H46O4 — CID 165040485

IUPAC2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
SMILESCC.CC.Oc1ccc(-c2ccc(O)c(C(c3ccc(C4CCCCC4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1
InChIInChI=1S/C37H34O4.2C2H6/c38-31-16-10-26(11-17-31)29-14-20-35(40)33(22-29)37(28-8-6-25(7-9-28)24-4-2-1-3-5-24)34-23-30(15-21-36(34)41)27-12-18-32(39)19-13-27;2*1-2/h6-24,37-41H,1-5H2;2*1-2H3
InChIKeyOAUWVYBELHVGSP-UHFFFAOYSA-N
MW602.82 g/mol
LogP11.12
Rot. Bonds6

About 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane

2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane (PubChem CID 165040485) has the molecular formula C41H46O4 and a molecular weight of 602.82 g/mol. Its IUPAC name is 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane.

Molecular Properties

Compound Name2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
PubChem CID165040485
Molecular FormulaC41H46O4
Molecular Weight602.82 g/mol
Exact Mass602.34
IUPAC Name2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane
SMILESCC.CC.Oc1ccc(-c2ccc(O)c(C(c3ccc(C4CCCCC4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1
InChIInChI=1S/C37H34O4.2C2H6/c38-31-16-10-26(11-17-31)29-14-20-35(40)33(22-29)37(28-8-6-25(7-9-28)24-4-2-1-3-5-24)34-23-30(15-21-36(34)41)27-12-18-32(39)19-13-27;2*1-2/h6-24,37-41H,1-5H2;2*1-2H3
InChIKeyOAUWVYBELHVGSP-UHFFFAOYSA-N
XLogP11.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.82
LogP ≤ 511.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 154613065
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
2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 126693552
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 163458586
2-tert-butyl-4-(4-cyclohexylphenyl)phenol
CID 19694694
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol
CID 160612259
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
4-(4-cyclopentylphenyl)phenol;2,6-ditert-butyl-4-(4-cyclopentylphenyl)phenol
CID 157497488
2-cyclohexyl-6-[[3-cyclohexyl-5-(3-cyclohexyl-4-hydroxyphenyl)-2-hydroxyphenyl]-phenylmethyl]-4-(3-cyclohexyl-4-hydroxyphenyl)phenol
CID 164762184
2-[(4-cyclohexylphenyl)-[2-hydroxy-3-(2-hydroxyphenyl)phenyl]methyl]-6-(2-hydroxyphenyl)phenol
CID 139476041
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane?
The IUPAC name of 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane (CID 165040485) is 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane.
What is the SMILES notation for 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane?
The canonical SMILES for 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane is CC.CC.Oc1ccc(-c2ccc(O)c(C(c3ccc(C4CCCCC4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1.
What is the InChIKey of 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane?
The InChIKey is OAUWVYBELHVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34O4.2C2H6/c38-31-16-10-26(11-17-31)29-14-20-35(40)33(22-29)37(28-8-6-25(7-9-28)24-4-2-1-3-5-24)34-23-30(15-21-36(34)41)27-12-18-32(39)19-13-27;2*1-2/h6-24,37-41H,1-5H2;2*1-2H3.
What are the key properties of 2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane?
2-[(4-cyclohexylphenyl)-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane has a molecular weight of 602.82 g/mol, XLogP of 11.12, 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-5-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol;ethane is sourced from PubChem (CID 165040485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).