1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol

C17H26O2 — CID 65085746

IUPAC1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol
SMILESCOc1ccc(C)cc1C1(O)CCCC(C)(C)CC1
InChIInChI=1S/C17H26O2/c1-13-6-7-15(19-4)14(12-13)17(18)9-5-8-16(2,3)10-11-17/h6-7,12,18H,5,8-11H2,1-4H3
InChIKeySBNFYNLIYMOJJQ-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.18
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol

1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol (PubChem CID 65085746) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol
PubChem CID65085746
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol
SMILESCOc1ccc(C)cc1C1(O)CCCC(C)(C)CC1
InChIInChI=1S/C17H26O2/c1-13-6-7-15(19-4)14(12-13)17(18)9-5-8-16(2,3)10-11-17/h6-7,12,18H,5,8-11H2,1-4H3
InChIKeySBNFYNLIYMOJJQ-UHFFFAOYSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-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

4-(2-methoxy-5-methylphenyl)oxepan-4-ol
CID 65079088
3-(2-methoxy-5-methylphenyl)piperidin-3-ol
CID 63587735
1-(3-bromo-2,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103522872
1-(2-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117277830
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65313647
6-(2-methoxy-5-methylphenyl)bicyclo[3.1.0]hexan-6-ol
CID 79332087
4-(2-methoxy-5-methylphenyl)-1-propylpiperidin-4-ol
CID 55120385
1-(2-methoxy-5-methylphenyl)-3,5-dimethylcyclohexan-1-ol
CID 64735348
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103395024
1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65084029
4,4-dimethyl-1-(2-methylphenyl)cycloheptan-1-ol
CID 65086146
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol (CID 65085746) is 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol is COc1ccc(C)cc1C1(O)CCCC(C)(C)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol?
The InChIKey is SBNFYNLIYMOJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-6-7-15(19-4)14(12-13)17(18)9-5-8-16(2,3)10-11-17/h6-7,12,18H,5,8-11H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol?
1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 65085746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).