1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid

C12H13FO4 — CID 117352800

IUPAC1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CCC2)c(F)c1O
InChIInChI=1S/C12H13FO4/c1-17-8-4-3-7(9(13)10(8)14)12(11(15)16)5-2-6-12/h3-4,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyMXHREUGRXFCPFH-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.05
Rot. Bonds3

About 1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid

1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117352800) has the molecular formula C12H13FO4 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID117352800
Molecular FormulaC12H13FO4
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)O)CCC2)c(F)c1O
InChIInChI=1S/C12H13FO4/c1-17-8-4-3-7(9(13)10(8)14)12(11(15)16)5-2-6-12/h3-4,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyMXHREUGRXFCPFH-UHFFFAOYSA-N
XLogP2.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117466659
1-(2-fluoro-3,6-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388593
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-(2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344776
1-(2,3-difluoro-4-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117328262
1-(3-fluoro-2-hydroxy-4,5-dimethoxyphenyl)cyclohexane-1-carboxylic acid
CID 117480789
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988
1-(2,5-difluoro-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117357150
1-(3-fluoro-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117490420

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid (CID 117352800) is 1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid is COc1ccc(C2(C(=O)O)CCC2)c(F)c1O.
What is the InChIKey of 1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is MXHREUGRXFCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO4/c1-17-8-4-3-7(9(13)10(8)14)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-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid?
1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 240.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117352800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).