1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol

C17H25FO2 — CID 107429701

IUPAC1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(CC(C)C)C2)c(F)c1
InChIInChI=1S/C17H25FO2/c1-12(2)9-13-5-4-8-17(19,11-13)15-7-6-14(20-3)10-16(15)18/h6-7,10,12-13,19H,4-5,8-9,11H2,1-3H3
InChIKeyHFCLVDZHIMKSSK-UHFFFAOYSA-N
MW280.38 g/mol
LogP4.26
Rot. Bonds4

About 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429701) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429701
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCOc1ccc(C2(O)CCCC(CC(C)C)C2)c(F)c1
InChIInChI=1S/C17H25FO2/c1-12(2)9-13-5-4-8-17(19,11-13)15-7-6-14(20-3)10-16(15)18/h6-7,10,12-13,19H,4-5,8-9,11H2,1-3H3
InChIKeyHFCLVDZHIMKSSK-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103395024
1-(3-methoxypyrazin-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429636
1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429597
1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
CID 103396883
1-(2-cyclobutylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429613
3-amino-1-(2,4-dimethoxyphenyl)cyclohexan-1-ol
CID 80562191
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754
1-(3-cyclopropyloxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429676
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493
3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 103395075
[1-(3-methoxyanilino)-3-(2-methylpropyl)cyclohexyl]methanol
CID 107430208
1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117105

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429701) is 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol is COc1ccc(C2(O)CCCC(CC(C)C)C2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is HFCLVDZHIMKSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FO2/c1-12(2)9-13-5-4-8-17(19,11-13)15-7-6-14(20-3)10-16(15)18/h6-7,10,12-13,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 280.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).