1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid

C13H15FO4 — CID 117388603

IUPAC1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1c(F)cc(C)c(C2(C(=O)O)CCC2)c1O
InChIInChI=1S/C13H15FO4/c1-7-6-8(14)11(18-2)10(15)9(7)13(12(16)17)4-3-5-13/h6,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyDZVVYJXURNSQKW-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.35
Rot. Bonds3

About 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid

1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117388603) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117388603
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1c(F)cc(C)c(C2(C(=O)O)CCC2)c1O
InChIInChI=1S/C13H15FO4/c1-7-6-8(14)11(18-2)10(15)9(7)13(12(16)17)4-3-5-13/h6,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyDZVVYJXURNSQKW-UHFFFAOYSA-N
XLogP2.35
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344763
1-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117429667
1-(2-chloro-3,4-dihydroxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117394982
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646
1-(3-chloro-2,5-difluoro-6-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117469702
1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 117458252
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117348898
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117454530
1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799157
1-(3,5-difluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393688

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid (CID 117388603) is 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid is COc1c(F)cc(C)c(C2(C(=O)O)CCC2)c1O.
What is the InChIKey of 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is DZVVYJXURNSQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c1-7-6-8(14)11(18-2)10(15)9(7)13(12(16)17)4-3-5-13/h6,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid?
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117388603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).