2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol

C42H44O4 — CID 154613065

IUPAC2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
SMILESCCCCCC1CCC(c2ccc(C(c3cc(-c4ccc(O)cc4)ccc3O)c3cc(-c4ccc(O)cc4)ccc3O)cc2)CC1
InChIInChI=1S/C42H44O4/c1-2-3-4-5-28-6-8-29(9-7-28)30-10-12-33(13-11-30)42(38-26-34(18-24-40(38)45)31-14-20-36(43)21-15-31)39-27-35(19-25-41(39)46)32-16-22-37(44)23-17-32/h10-29,42-46H,2-9H2,1H3
InChIKeyAFKOKJULMNQOOY-UHFFFAOYSA-N
MW612.81 g/mol
LogP10.88
Rot. Bonds10

About 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol

2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol (PubChem CID 154613065) has the molecular formula C42H44O4 and a molecular weight of 612.81 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
PubChem CID154613065
Molecular FormulaC42H44O4
Molecular Weight612.81 g/mol
Exact Mass612.32
IUPAC Name2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
SMILESCCCCCC1CCC(c2ccc(C(c3cc(-c4ccc(O)cc4)ccc3O)c3cc(-c4ccc(O)cc4)ccc3O)cc2)CC1
InChIInChI=1S/C42H44O4/c1-2-3-4-5-28-6-8-29(9-7-28)30-10-12-33(13-11-30)42(38-26-34(18-24-40(38)45)31-14-20-36(43)21-15-31)39-27-35(19-25-41(39)46)32-16-22-37(44)23-17-32/h10-29,42-46H,2-9H2,1H3
InChIKeyAFKOKJULMNQOOY-UHFFFAOYSA-N
XLogP10.88
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.81
LogP ≤ 510.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

4-[2-chloro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
CID 138691001
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenol
CID 139457537
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane
CID 144684748
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane;propane
CID 145122108
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol (CID 154613065) is 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol is CCCCCC1CCC(c2ccc(C(c3cc(-c4ccc(O)cc4)ccc3O)c3cc(-c4ccc(O)cc4)ccc3O)cc2)CC1.
What is the InChIKey of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
The InChIKey is AFKOKJULMNQOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44O4/c1-2-3-4-5-28-6-8-29(9-7-28)30-10-12-33(13-11-30)42(38-26-34(18-24-40(38)45)31-14-20-36(43)21-15-31)39-27-35(19-25-41(39)46)32-16-22-37(44)23-17-32/h10-29,42-46H,2-9H2,1H3.
What are the key properties of 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol?
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol has a molecular weight of 612.81 g/mol, XLogP of 10.88, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 154613065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).