[4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol

C28H32O2 — CID 118329138

IUPAC[4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol
SMILESCOc1ccc(CCC2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H32O2/c1-30-27-20-16-23(17-21-27)13-12-22-14-18-26(19-15-22)28(29,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-11,16-17,20-22,26,29H,12-15,18-19H2,1H3
InChIKeyGNIVHIRBRHPGFP-UHFFFAOYSA-N
MW400.56 g/mol
LogP6.37
Rot. Bonds7

About [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol

[4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol (PubChem CID 118329138) has the molecular formula C28H32O2 and a molecular weight of 400.56 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol
PubChem CID118329138
Molecular FormulaC28H32O2
Molecular Weight400.56 g/mol
Exact Mass400.24
IUPAC Name[4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol
SMILESCOc1ccc(CCC2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H32O2/c1-30-27-20-16-23(17-21-27)13-12-22-14-18-26(19-15-22)28(29,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-11,16-17,20-22,26,29H,12-15,18-19H2,1H3
InChIKeyGNIVHIRBRHPGFP-UHFFFAOYSA-N
XLogP6.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(4-fluorophenyl)-(4-methoxyphenyl)methanol
CID 154301932
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917
3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 65444252
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 11837570
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
1-(4-tert-butylphenyl)-3-[4-[hydroxy(diphenyl)methyl]cyclohexyl]propan-1-one
CID 118329134
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol?
The IUPAC name of [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol (CID 118329138) is [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol?
The canonical SMILES for [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol is COc1ccc(CCC2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol?
The InChIKey is GNIVHIRBRHPGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O2/c1-30-27-20-16-23(17-21-27)13-12-22-14-18-26(19-15-22)28(29,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-11,16-17,20-22,26,29H,12-15,18-19H2,1H3.
What are the key properties of [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol?
[4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol has a molecular weight of 400.56 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)ethyl]cyclohexyl]-diphenylmethanol is sourced from PubChem (CID 118329138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).