1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol

C18H28O2 — CID 103432682

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCOc1c(C2(O)CCCCC2C(C)C)ccc(C)c1C
InChIInChI=1S/C18H28O2/c1-12(2)15-8-6-7-11-18(15,19)16-10-9-13(3)14(4)17(16)20-5/h9-10,12,15,19H,6-8,11H2,1-5H3
InChIKeyJNRKMLZIGISBRM-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.35
Rot. Bonds3

About 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol

1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol (PubChem CID 103432682) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
PubChem CID103432682
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
SMILESCOc1c(C2(O)CCCCC2C(C)C)ccc(C)c1C
InChIInChI=1S/C18H28O2/c1-12(2)15-8-6-7-11-18(15,19)16-10-9-13(3)14(4)17(16)20-5/h9-10,12,15,19H,6-8,11H2,1-5H3
InChIKeyJNRKMLZIGISBRM-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-methoxy-3,4-dimethylphenyl)spiro[4.5]decan-8-ol
CID 103432732
2-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrrolidine
CID 103433658
1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432415
3-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclopentan-1-ol
CID 103434384
3-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432568
1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol
CID 103432648
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
CID 106880524
1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 103432752
4-(2-methoxy-3,4-dimethylphenyl)-1-methylazepan-4-ol
CID 103432584
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
2-(2-methoxy-3,4-dimethylphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 103432445

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol (CID 103432682) is 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol is COc1c(C2(O)CCCCC2C(C)C)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is JNRKMLZIGISBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-12(2)15-8-6-7-11-18(15,19)16-10-9-13(3)14(4)17(16)20-5/h9-10,12,15,19H,6-8,11H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol?
1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 103432682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).