1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol

C15H21FO2 — CID 171366570

IUPAC1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(F)c(C2(O)CCC(C)(C)CC2)c1
InChIInChI=1S/C15H21FO2/c1-14(2)6-8-15(17,9-7-14)12-10-11(18-3)4-5-13(12)16/h4-5,10,17H,6-9H2,1-3H3
InChIKeyIJXRKIUKTBJAKS-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.62
Rot. Bonds2

About 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol

1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 171366570) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
PubChem CID171366570
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
SMILESCOc1ccc(F)c(C2(O)CCC(C)(C)CC2)c1
InChIInChI=1S/C15H21FO2/c1-14(2)6-8-15(17,9-7-14)12-10-11(18-3)4-5-13(12)16/h4-5,10,17H,6-9H2,1-3H3
InChIKeyIJXRKIUKTBJAKS-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-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-fluoro-5-methoxyphenyl)cyclohexan-1-ol
CID 171367787
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103395024
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
1-(4-methoxy-2-methylphenyl)-4,4-dimethylcycloheptan-1-ol
CID 65313647
1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
CID 103396883
2-(5-bromo-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115511058
1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
CID 91618990
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374991
4,4-dimethyl-1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 65085438

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol (CID 171366570) is 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol is COc1ccc(F)c(C2(O)CCC(C)(C)CC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is IJXRKIUKTBJAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-14(2)6-8-15(17,9-7-14)12-10-11(18-3)4-5-13(12)16/h4-5,10,17H,6-9H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol?
1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 171366570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).