1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol

C13H17FO2 — CID 171367787

IUPAC1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(F)c(C2(O)CCCCC2)c1
InChIInChI=1S/C13H17FO2/c1-16-10-5-6-12(14)11(9-10)13(15)7-3-2-4-8-13/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyBJOGIVXWKXEEFR-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.99
Rot. Bonds2

About 1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol

1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol (PubChem CID 171367787) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
PubChem CID171367787
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(F)c(C2(O)CCCCC2)c1
InChIInChI=1S/C13H17FO2/c1-16-10-5-6-12(14)11(9-10)13(15)7-3-2-4-8-13/h5-6,9,15H,2-4,7-8H2,1H3
InChIKeyBJOGIVXWKXEEFR-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methoxyphenyl)-4,4-dimethylcyclohexan-1-ol
CID 171366570
4-(2-fluoro-5-methoxyphenyl)oxan-4-ol
CID 171367710
1-(2-fluoro-5-methylphenyl)cyclopentan-1-ol
CID 62788885
1-(5-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 83384980
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
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
1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
CID 103396883
1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 62964767

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol (CID 171367787) is 1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol is COc1ccc(F)c(C2(O)CCCCC2)c1.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is BJOGIVXWKXEEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-16-10-5-6-12(14)11(9-10)13(15)7-3-2-4-8-13/h5-6,9,15H,2-4,7-8H2,1H3.
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol?
1-(2-fluoro-5-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 224.28 g/mol, XLogP of 2.99, 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)cyclohexan-1-ol is sourced from PubChem (CID 171367787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).