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

C13H17FO2 — CID 64516764

IUPAC3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(C2CCCC(O)C2)cc1F
InChIInChI=1S/C13H17FO2/c1-16-13-6-5-10(8-12(13)14)9-3-2-4-11(15)7-9/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyRLSVTPGYZXJDKC-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.85
Rot. Bonds2

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

3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol (PubChem CID 64516764) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
PubChem CID64516764
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
SMILESCOc1ccc(C2CCCC(O)C2)cc1F
InChIInChI=1S/C13H17FO2/c1-16-13-6-5-10(8-12(13)14)9-3-2-4-11(15)7-9/h5-6,8-9,11,15H,2-4,7H2,1H3
InChIKeyRLSVTPGYZXJDKC-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
2-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-ol
CID 83834988
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 81009100
2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
CID 120762813
(4aR,10aS)-10-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthren-9-ol
CID 59504421
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
3-(4-cyclobutylphenyl)cyclopentan-1-ol
CID 116506811
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800
N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide
CID 154879757

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol (CID 64516764) is 3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol is COc1ccc(C2CCCC(O)C2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol?
The InChIKey is RLSVTPGYZXJDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-16-13-6-5-10(8-12(13)14)9-3-2-4-11(15)7-9/h5-6,8-9,11,15H,2-4,7H2,1H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol?
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 64516764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).