2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid

C9H8ClFO3 — CID 56840543

IUPAC2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
SMILESCOc1cc(F)c(CC(=O)O)cc1Cl
InChIInChI=1S/C9H8ClFO3/c1-14-8-4-7(11)5(2-6(8)10)3-9(12)13/h2,4H,3H2,1H3,(H,12,13)
InChIKeyBSXVRMTVMCGANQ-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.11
Rot. Bonds3

About 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid

2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid (PubChem CID 56840543) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
PubChem CID56840543
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
SMILESCOc1cc(F)c(CC(=O)O)cc1Cl
InChIInChI=1S/C9H8ClFO3/c1-14-8-4-7(11)5(2-6(8)10)3-9(12)13/h2,4H,3H2,1H3,(H,12,13)
InChIKeyBSXVRMTVMCGANQ-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
3-(5-chloro-2-fluoro-4-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117406133
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
1-(5-chloro-2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 84671954
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
CID 117357480
2-(5-chloro-4-methoxy-2-nitrophenyl)acetic acid
CID 171003063
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84797143
1-(5-chloro-2-fluoro-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894016
1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117331427
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid (CID 56840543) is 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid is COc1cc(F)c(CC(=O)O)cc1Cl.
What is the InChIKey of 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid?
The InChIKey is BSXVRMTVMCGANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-14-8-4-7(11)5(2-6(8)10)3-9(12)13/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid?
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid has a molecular weight of 218.61 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 56840543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).