2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol

C34H42O3 — CID 139978853

IUPAC2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol
SMILESCc1cc(O)c(C2CCCCC2)cc1C(C)(c1cccc(O)c1)c1cc(C2CCCCC2)c(O)cc1C
InChIInChI=1S/C34H42O3/c1-22-17-32(36)28(24-11-6-4-7-12-24)20-30(22)34(3,26-15-10-16-27(35)19-26)31-21-29(33(37)18-23(31)2)25-13-8-5-9-14-25/h10,15-21,24-25,35-37H,4-9,11-14H2,1-3H3
InChIKeyGTEWODUJXPHFNH-UHFFFAOYSA-N
MW498.71 g/mol
LogP8.87
Rot. Bonds5

About 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol

2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol (PubChem CID 139978853) has the molecular formula C34H42O3 and a molecular weight of 498.71 g/mol. Its IUPAC name is 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol
PubChem CID139978853
Molecular FormulaC34H42O3
Molecular Weight498.71 g/mol
Exact Mass498.31
IUPAC Name2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol
SMILESCc1cc(O)c(C2CCCCC2)cc1C(C)(c1cccc(O)c1)c1cc(C2CCCCC2)c(O)cc1C
InChIInChI=1S/C34H42O3/c1-22-17-32(36)28(24-11-6-4-7-12-24)20-30(22)34(3,26-15-10-16-27(35)19-26)31-21-29(33(37)18-23(31)2)25-13-8-5-9-14-25/h10,15-21,24-25,35-37H,4-9,11-14H2,1-3H3
InChIKeyGTEWODUJXPHFNH-UHFFFAOYSA-N
XLogP8.87
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 58.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxyphenyl)-1-(3-hydroxyphenyl)ethyl]phenol
CID 139978952
4-cyclohexyl-3-methylphenol;2-methylphenol
CID 157234017
2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034
2-cycloheptyl-5-methylphenol
CID 45096882
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
2-cyclododecylphenol
CID 22381643
4-[cyclohexyl-bis(3-hydroxyphenyl)methyl]-2,6-dimethylphenol
CID 159025688
2-cyclohexyl-5-(trifluoromethyl)phenol
CID 117104272
4-tert-butyl-2-cyclohexylphenol;methane
CID 174535578
2-cyclohexyl-5-(4-cyclopentyl-3-hydroxyphenyl)phenol
CID 142370768
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol
CID 139696622

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol?
The IUPAC name of 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol (CID 139978853) is 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol.
What is the SMILES notation for 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol?
The canonical SMILES for 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol is Cc1cc(O)c(C2CCCCC2)cc1C(C)(c1cccc(O)c1)c1cc(C2CCCCC2)c(O)cc1C.
What is the InChIKey of 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol?
The InChIKey is GTEWODUJXPHFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42O3/c1-22-17-32(36)28(24-11-6-4-7-12-24)20-30(22)34(3,26-15-10-16-27(35)19-26)31-21-29(33(37)18-23(31)2)25-13-8-5-9-14-25/h10,15-21,24-25,35-37H,4-9,11-14H2,1-3H3.
What are the key properties of 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol?
2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol has a molecular weight of 498.71 g/mol, XLogP of 8.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[1-(5-cyclohexyl-4-hydroxy-2-methylphenyl)-1-(3-hydroxyphenyl)ethyl]-5-methylphenol is sourced from PubChem (CID 139978853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).