[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol

C20H32O — CID 66026290

IUPAC[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(Cc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C20H32O/c1-4-5-6-18-7-9-20(15-21,10-8-18)14-19-12-16(2)11-17(3)13-19/h11-13,18,21H,4-10,14-15H2,1-3H3
InChIKeyJJYMRRXFXMDJME-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.21
Rot. Bonds6

About [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol

[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol (PubChem CID 66026290) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol
PubChem CID66026290
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol
SMILESCCCCC1CCC(CO)(Cc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C20H32O/c1-4-5-6-18-7-9-20(15-21,10-8-18)14-19-12-16(2)11-17(3)13-19/h11-13,18,21H,4-10,14-15H2,1-3H3
InChIKeyJJYMRRXFXMDJME-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(5-bromo-3-pyridinyl)methyl]-4-butylcyclohexyl]methanol
CID 104813121
[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol
CID 82870443
(4-butyl-1-methylcyclohexyl)methanol
CID 66025172
[4-butyl-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]methanol
CID 66026724
N-[(1-benzyl-4-butylcyclohexyl)methyl]cyclopropanamine
CID 63521307
[4-butyl-1-(2-thiophen-3-ylethyl)cyclohexyl]methanol
CID 66026292
1-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424458
1-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-4-ethylbenzene
CID 66034852
N-[(1-benzyl-4-butylcyclohexyl)methyl]propan-1-amine
CID 63522017
1-bromo-3-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-5-fluorobenzene
CID 79698209
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
CID 82925896
[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 66058599

Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol?
The IUPAC name of [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol (CID 66026290) is [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol?
The canonical SMILES for [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol is CCCCC1CCC(CO)(Cc2cc(C)cc(C)c2)CC1.
What is the InChIKey of [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol?
The InChIKey is JJYMRRXFXMDJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-4-5-6-18-7-9-20(15-21,10-8-18)14-19-12-16(2)11-17(3)13-19/h11-13,18,21H,4-10,14-15H2,1-3H3.
What are the key properties of [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol?
[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol has a molecular weight of 288.48 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol is sourced from PubChem (CID 66026290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).