2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid

C9H8ClFO3 — CID 82158643

IUPAC2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid
SMILESO=C(O)COCc1c(F)cccc1Cl
InChIInChI=1S/C9H8ClFO3/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKeyYEEMBUXKMPNTSB-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.08
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid

2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid (PubChem CID 82158643) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid
PubChem CID82158643
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid
SMILESO=C(O)COCc1c(F)cccc1Cl
InChIInChI=1S/C9H8ClFO3/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKeyYEEMBUXKMPNTSB-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-fluoro-2-(methylsulfanylmethoxymethyl)benzene
CID 129306706
(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
CID 82115903
3-[(2-chloro-6-fluorophenyl)methoxy]-2,2-dimethylpropan-1-ol
CID 81218227
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
CID 1294400
CID 167462330
CID 167462330
(2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate
CID 2436177
1-chloro-3-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91718297
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid (CID 82158643) is 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid is O=C(O)COCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid?
The InChIKey is YEEMBUXKMPNTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3H,4-5H2,(H,12,13).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid?
2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid has a molecular weight of 218.61 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid is sourced from PubChem (CID 82158643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).