1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol

C15H21FO2 — CID 82805530

IUPAC1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CC(C)CCC2C)c1F
InChIInChI=1S/C15H21FO2/c1-10-7-8-11(2)15(17,9-10)12-5-4-6-13(18-3)14(12)16/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyJQIFNVXYBWICNW-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.48
Rot. Bonds2

About 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol

1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol (PubChem CID 82805530) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
PubChem CID82805530
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
SMILESCOc1cccc(C2(O)CC(C)CCC2C)c1F
InChIInChI=1S/C15H21FO2/c1-10-7-8-11(2)15(17,9-10)12-5-4-6-13(18-3)14(12)16/h4-6,10-11,17H,7-9H2,1-3H3
InChIKeyJQIFNVXYBWICNW-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 104793153
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethyloxan-4-ol
CID 82808469
1-(2-fluoro-3-methoxyphenyl)cyclopropan-1-ol
CID 83808255
1-(2,3-difluorophenyl)-2-methylcyclopropan-1-ol
CID 79332533
1-(3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol
CID 64756237
1-(2-fluoro-6-methoxyphenyl)-2-methylcyclopropan-1-ol
CID 79333022
1-(2-fluoro-3-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 82805715
3-(2-fluoro-3-methoxyphenyl)azetidin-3-ol
CID 82008577
1-(3,5-difluorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64753777
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 82805652
1-(2-fluoro-3-methoxyphenyl)-2,2-dimethylcyclohexan-1-ol
CID 82806761

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol (CID 82805530) is 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol is COc1cccc(C2(O)CC(C)CCC2C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol?
The InChIKey is JQIFNVXYBWICNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-10-7-8-11(2)15(17,9-10)12-5-4-6-13(18-3)14(12)16/h4-6,10-11,17H,7-9H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol?
1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 82805530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).