1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid

C12H13FO3 — CID 117321649

IUPAC1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1c(F)ccc(O)c1C1(C(=O)O)CCC1
InChIInChI=1S/C12H13FO3/c1-7-8(13)3-4-9(14)10(7)12(11(15)16)5-2-6-12/h3-4,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyGYYOJHPZKGXRHU-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid

1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117321649) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117321649
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCc1c(F)ccc(O)c1C1(C(=O)O)CCC1
InChIInChI=1S/C12H13FO3/c1-7-8(13)3-4-9(14)10(7)12(11(15)16)5-2-6-12/h3-4,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyGYYOJHPZKGXRHU-UHFFFAOYSA-N
XLogP2.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117348923
1-(6-fluoro-2,3-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388633
1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84781133
4-fluoro-2-(1-hydroxycyclopropyl)-3-methylphenol
CID 117279111
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611
1-(2,5-difluoro-3,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117388765
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117361873
1-(2,6-difluoro-3-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117399162
1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117328262
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid (CID 117321649) is 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid is Cc1c(F)ccc(O)c1C1(C(=O)O)CCC1.
What is the InChIKey of 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is GYYOJHPZKGXRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-7-8(13)3-4-9(14)10(7)12(11(15)16)5-2-6-12/h3-4,14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid?
1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117321649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).