2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol

C18H28O3 — CID 64767491

IUPAC2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCOc1ccc(C(C)(C)C2CCC(C)CC2O)c(OC)c1
InChIInChI=1S/C18H28O3/c1-12-6-8-14(16(19)10-12)18(2,3)15-9-7-13(20-4)11-17(15)21-5/h7,9,11-12,14,16,19H,6,8,10H2,1-5H3
InChIKeyYQIDPSXYLQTJFE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.78
Rot. Bonds4

About 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol

2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 64767491) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID64767491
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCOc1ccc(C(C)(C)C2CCC(C)CC2O)c(OC)c1
InChIInChI=1S/C18H28O3/c1-12-6-8-14(16(19)10-12)18(2,3)15-9-7-13(20-4)11-17(15)21-5/h7,9,11-12,14,16,19H,6,8,10H2,1-5H3
InChIKeyYQIDPSXYLQTJFE-UHFFFAOYSA-N
XLogP3.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,5S)-2-[2-(4-methoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 134769173
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 64766100
(2R)-2-(2,4-dimethoxyphenyl)pentan-2-ol
CID 97048528
1-(2,4-dimethoxyphenyl)-1-piperidin-4-ylethanol
CID 82304157
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
2-(2,4-dimethoxyphenyl)propane-1,2-diol
CID 82713060
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711
1-(1-chloro-2-methylpropan-2-yl)-2,4-dimethoxybenzene
CID 82081448
2-[2-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 104544388

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol (CID 64767491) is 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol is COc1ccc(C(C)(C)C2CCC(C)CC2O)c(OC)c1.
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is YQIDPSXYLQTJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-12-6-8-14(16(19)10-12)18(2,3)15-9-7-13(20-4)11-17(15)21-5/h7,9,11-12,14,16,19H,6,8,10H2,1-5H3.
What are the key properties of 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxyphenyl)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 64767491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).