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

C35H44O3 — CID 139696622

IUPAC2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol
SMILESCCOc1ccccc1C(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C2CCCCC2)c(O)cc1C
InChIInChI=1S/C35H44O3/c1-4-38-34-18-12-11-17-27(34)35(28-21-30(32(36)19-23(28)2)25-13-7-5-8-14-25)29-22-31(33(37)20-24(29)3)26-15-9-6-10-16-26/h11-12,17-22,25-26,35-37H,4-10,13-16H2,1-3H3
InChIKeyATXPIXDPXXKQTR-UHFFFAOYSA-N
MW512.73 g/mol
LogP9.39
Rot. Bonds7

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

2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol (PubChem CID 139696622) 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)-(2-ethoxyphenyl)methyl]-5-methylphenol.

Molecular Properties

Compound Name2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol
PubChem CID139696622
Molecular FormulaC35H44O3
Molecular Weight512.73 g/mol
Exact Mass512.33
IUPAC Name2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol
SMILESCCOc1ccccc1C(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C2CCCCC2)c(O)cc1C
InChIInChI=1S/C35H44O3/c1-4-38-34-18-12-11-17-27(34)35(28-21-30(32(36)19-23(28)2)25-13-7-5-8-14-25)29-22-31(33(37)20-24(29)3)26-15-9-6-10-16-26/h11-12,17-22,25-26,35-37H,4-10,13-16H2,1-3H3
InChIKeyATXPIXDPXXKQTR-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

2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(4-ethoxyphenyl)methyl]-5-methylphenol
CID 139696623
2-cyclohexyl-4-[(5-heptan-3-yl-4-hydroxy-2-methylphenyl)-(2-hydroxyphenyl)methyl]-5-methylphenol
CID 145179128
2-cyclohexyl-5-methyl-4-(1-phenylpropan-2-yl)phenol
CID 67723850
4-cyclohexyl-5-ethoxy-2-methylphenol
CID 59929209
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
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
2-cycloheptyl-5-methylbenzene-1,4-diol
CID 59639034
ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate
CID 155685861
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
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
2-[2-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-[[3-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-4-(1-carboxy-3-hydroxypropoxy)phenyl]methyl]phenoxy]-4-hydroxybutanoic acid
CID 101454099
2,4-dicyclohexyl-5-methylphenol;2,4,5-triethylphenol
CID 142247556

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol?
The IUPAC name of 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol (CID 139696622) is 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol.
What is the SMILES notation for 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol?
The canonical SMILES for 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol is CCOc1ccccc1C(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C2CCCCC2)c(O)cc1C.
What is the InChIKey of 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol?
The InChIKey is ATXPIXDPXXKQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44O3/c1-4-38-34-18-12-11-17-27(34)35(28-21-30(32(36)19-23(28)2)25-13-7-5-8-14-25)29-22-31(33(37)20-24(29)3)26-15-9-6-10-16-26/h11-12,17-22,25-26,35-37H,4-10,13-16H2,1-3H3.
What are the key properties of 2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-ethoxyphenyl)methyl]-5-methylphenol?
2-cyclohexyl-4-[(5-cyclohexyl-4-hydroxy-2-methylphenyl)-(2-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)-(2-ethoxyphenyl)methyl]-5-methylphenol is sourced from PubChem (CID 139696622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).