1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid

C10H8ClFO3 — CID 84794005

IUPAC1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Cl)c(O)cc2F)CC1
InChIInChI=1S/C10H8ClFO3/c11-6-3-5(7(12)4-8(6)13)10(1-2-10)9(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyJIXPHTJYHSWKLN-UHFFFAOYSA-N
MW230.62 g/mol
LogP2.30
Rot. Bonds2

About 1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid

1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 84794005) has the molecular formula C10H8ClFO3 and a molecular weight of 230.62 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID84794005
Molecular FormulaC10H8ClFO3
Molecular Weight230.62 g/mol
Exact Mass230.01
IUPAC Name1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(Cl)c(O)cc2F)CC1
InChIInChI=1S/C10H8ClFO3/c11-6-3-5(7(12)4-8(6)13)10(1-2-10)9(14)15/h3-4,13H,1-2H2,(H,14,15)
InChIKeyJIXPHTJYHSWKLN-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-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropane-1-carboxylic acid
CID 117314000
1-(4-chloro-2,3,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 117112356
1-(3-chloro-2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337097
1-(2,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 83711945
1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117324946
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117333149

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid (CID 84794005) is 1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(Cl)c(O)cc2F)CC1.
What is the InChIKey of 1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is JIXPHTJYHSWKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO3/c11-6-3-5(7(12)4-8(6)13)10(1-2-10)9(14)15/h3-4,13H,1-2H2,(H,14,15).
What are the key properties of 1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid?
1-(5-chloro-2-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-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84794005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).