2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol

C35H44O3 — CID 139696623

IUPAC2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol
SMILESCCOc1ccc(C(c2cc(C3CCCCC3)c(O)cc2C)c2cc(C3CCCCC3)c(O)cc2C)cc1
InChIInChI=1S/C35H44O3/c1-4-38-28-17-15-27(16-18-28)35(29-21-31(33(36)19-23(29)2)25-11-7-5-8-12-25)30-22-32(34(37)20-24(30)3)26-13-9-6-10-14-26/h15-22,25-26,35-37H,4-14H2,1-3H3
InChIKeyVZFKHFZFSBIDKU-UHFFFAOYSA-N
MW512.73 g/mol
LogP9.39
Rot. Bonds7

About 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol

2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol (PubChem CID 139696623) has the molecular formula C35H44O3 and a molecular weight of 512.73 g/mol. Its IUPAC name is 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol
PubChem CID139696623
Molecular FormulaC35H44O3
Molecular Weight512.73 g/mol
Exact Mass512.33
IUPAC Name2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol
SMILESCCOc1ccc(C(c2cc(C3CCCCC3)c(O)cc2C)c2cc(C3CCCCC3)c(O)cc2C)cc1
InChIInChI=1S/C35H44O3/c1-4-38-28-17-15-27(16-18-28)35(29-21-31(33(36)19-23(29)2)25-11-7-5-8-12-25)30-22-32(34(37)20-24(30)3)26-13-9-6-10-14-26/h15-22,25-26,35-37H,4-14H2,1-3H3
InChIKeyVZFKHFZFSBIDKU-UHFFFAOYSA-N
XLogP9.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.73
LogP ≤ 59.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]benzene-1,2-diol;4-[bis(4-hydroxy-2,3,5-trimethylphenyl)methyl]benzene-1,2-diol
CID 157123763
2-cyclohexyl-4-[(5-heptan-3-yl-4-hydroxy-2-methylphenyl)-(2-hydroxyphenyl)methyl]-5-methylphenol
CID 145179128
ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate
CID 155685861
ethyl 3-(4-cycloheptyl-3-hydroxyphenyl)butanoate
CID 22718788
2-[2-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[[3-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-(carboxymethoxy)phenyl]methyl]-2-(carboxymethoxy)-5-methylphenyl]methyl]phenoxy]acetic acid
CID 87221949
3-[2-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-(2-oxooxolan-3-yl)oxyphenyl]methyl]phenoxy]oxolan-2-one
CID 163969283
4-butan-2-yl-2-cyclohexylphenol
CID 21489929
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
2,4-dicyclohexyl-5-methylphenol;2,4,5-triethylphenol
CID 142247556
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
4,6-dicyclohexylbenzene-1,3-diol
CID 3020817
1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
CID 63437137

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol?
The IUPAC name of 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol (CID 139696623) is 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol.
What is the SMILES notation for 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol?
The canonical SMILES for 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol is CCOc1ccc(C(c2cc(C3CCCCC3)c(O)cc2C)c2cc(C3CCCCC3)c(O)cc2C)cc1.
What is the InChIKey of 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol?
The InChIKey is VZFKHFZFSBIDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44O3/c1-4-38-28-17-15-27(16-18-28)35(29-21-31(33(36)19-23(29)2)25-11-7-5-8-12-25)30-22-32(34(37)20-24(30)3)26-13-9-6-10-14-26/h15-22,25-26,35-37H,4-14H2,1-3H3.
What are the key properties of 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol?
2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol has a molecular weight of 512.73 g/mol, XLogP of 9.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol is sourced from PubChem (CID 139696623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).