1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid

C10H8ClFO3 — CID 117333149

IUPAC1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(O)c(Cl)c2)CC1
InChIInChI=1S/C10H8ClFO3/c11-6-3-5(4-7(12)8(6)13)10(1-2-10)9(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyGIMHEIVDXLIJIN-UHFFFAOYSA-N
MW230.62 g/mol
LogP2.30
Rot. Bonds2

About 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid

1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117333149) has the molecular formula C10H8ClFO3 and a molecular weight of 230.62 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117333149
Molecular FormulaC10H8ClFO3
Molecular Weight230.62 g/mol
Exact Mass230.01
IUPAC Name1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(O)c(Cl)c2)CC1
InChIInChI=1S/C10H8ClFO3/c11-6-3-5(4-7(12)8(6)13)10(1-2-10)9(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyGIMHEIVDXLIJIN-UHFFFAOYSA-N
XLogP2.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.62
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 84811106
1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117363584
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid
CID 117453420
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363594
1-(3-amino-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117112290
1-(3-fluoro-4-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117352802
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-(2-chloro-5-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84802653
1-(3-fluoro-4-hydroxy-5-methoxycarbonylphenyl)cyclobutane-1-carboxylic acid
CID 117423995
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid (CID 117333149) is 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(F)c(O)c(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is GIMHEIVDXLIJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO3/c11-6-3-5(4-7(12)8(6)13)10(1-2-10)9(14)15/h3-4,13H,1-2H2,(H,14,15).
What are the key properties of 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 230.62 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117333149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).