2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid

C12H12ClFO3 — CID 117400294

IUPAC2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid
SMILESCc1c(F)cc(Cl)c(O)c1C1(CC(=O)O)CC1
InChIInChI=1S/C12H12ClFO3/c1-6-8(14)4-7(13)11(17)10(6)12(2-3-12)5-9(15)16/h4,17H,2-3,5H2,1H3,(H,15,16)
InChIKeyFFFUBUWOABRHLE-UHFFFAOYSA-N
MW258.68 g/mol
LogP3.00
Rot. Bonds3

About 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid

2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid (PubChem CID 117400294) has the molecular formula C12H12ClFO3 and a molecular weight of 258.68 g/mol. Its IUPAC name is 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid
PubChem CID117400294
Molecular FormulaC12H12ClFO3
Molecular Weight258.68 g/mol
Exact Mass258.05
IUPAC Name2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid
SMILESCc1c(F)cc(Cl)c(O)c1C1(CC(=O)O)CC1
InChIInChI=1S/C12H12ClFO3/c1-6-8(14)4-7(13)11(17)10(6)12(2-3-12)5-9(15)16/h4,17H,2-3,5H2,1H3,(H,15,16)
InChIKeyFFFUBUWOABRHLE-UHFFFAOYSA-N
XLogP3.00
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117363584
2-[1-(6-chloro-2-hydroxy-3-methylphenyl)cyclopropyl]acetic acid
CID 84800624
2-[1-(2,3,6-trifluorophenyl)cyclopropyl]acetic acid
CID 117331938
2-[1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclopropyl]acetic acid
CID 117361874
2-[1-(4-bromo-2-hydroxy-3,6-dimethylphenyl)cyclopropyl]acetic acid
CID 84816126
2-[1-(4-bromo-2,6-difluorophenyl)cyclopropyl]acetic acid
CID 84814924
3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 84696203
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
2-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117468852
2-[1-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)cyclopropyl]acetic acid
CID 117428689
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-[1-[2-chloro-6-hydroxy-4-(trifluoromethyl)phenyl]cyclopropyl]acetic acid
CID 117475183

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid (CID 117400294) is 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid is Cc1c(F)cc(Cl)c(O)c1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid?
The InChIKey is FFFUBUWOABRHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO3/c1-6-8(14)4-7(13)11(17)10(6)12(2-3-12)5-9(15)16/h4,17H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid?
2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid has a molecular weight of 258.68 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117400294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).