1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol

C17H26O2 — CID 107449892

IUPAC1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCOc1ccccc1CC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C17H26O2/c1-13(2)14-8-6-10-17(18,11-14)12-15-7-4-5-9-16(15)19-3/h4-5,7,9,13-14,18H,6,8,10-12H2,1-3H3
InChIKeyNSWKIXXWYYVLPJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.82
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol

1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449892) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449892
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCOc1ccccc1CC1(O)CCCC(C(C)C)C1
InChIInChI=1S/C17H26O2/c1-13(2)14-8-6-10-17(18,11-14)12-15-7-4-5-9-16(15)19-3/h4-5,7,9,13-14,18H,6,8,10-12H2,1-3H3
InChIKeyNSWKIXXWYYVLPJ-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-methoxyphenyl)methyl]-3-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

1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449760
1-[(2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65050430
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
2-(2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424370
1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
CID 65077660
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450061
1-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65151763
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310
1-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65105268
1-(2,6-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 116809940

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol (CID 107449892) is 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol is COc1ccccc1CC1(O)CCCC(C(C)C)C1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is NSWKIXXWYYVLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)14-8-6-10-17(18,11-14)12-15-7-4-5-9-16(15)19-3/h4-5,7,9,13-14,18H,6,8,10-12H2,1-3H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol?
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).