2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid

C9H8Cl2O4 — CID 171009337

IUPAC2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(O)C(=O)O
InChIInChI=1S/C9H8Cl2O4/c1-15-8-5(11)3-2-4(10)6(8)7(12)9(13)14/h2-3,7,12H,1H3,(H,13,14)
InChIKeyIRUSOGJPBGCDFX-UHFFFAOYSA-N
MW251.06 g/mol
LogP2.12
Rot. Bonds3

About 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid

2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid (PubChem CID 171009337) has the molecular formula C9H8Cl2O4 and a molecular weight of 251.06 g/mol. Its IUPAC name is 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
PubChem CID171009337
Molecular FormulaC9H8Cl2O4
Molecular Weight251.06 g/mol
Exact Mass249.98
IUPAC Name2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(O)C(=O)O
InChIInChI=1S/C9H8Cl2O4/c1-15-8-5(11)3-2-4(10)6(8)7(12)9(13)14/h2-3,7,12H,1H3,(H,13,14)
InChIKeyIRUSOGJPBGCDFX-UHFFFAOYSA-N
XLogP2.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.06
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253
2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
CID 117443259
2-(6-chloro-3-methoxy-2,4-dimethylphenyl)-2-hydroxyacetic acid
CID 117363717
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetic acid
CID 117369069
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
2-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)-2-hydroxyacetic acid
CID 117406019
2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341279
(2R)-2-[2,6-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129424
2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314963
3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid
CID 83899880
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
2-(3-chloro-2,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117406025

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid (CID 171009337) is 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid is COc1c(Cl)ccc(Cl)c1C(O)C(=O)O.
What is the InChIKey of 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid?
The InChIKey is IRUSOGJPBGCDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O4/c1-15-8-5(11)3-2-4(10)6(8)7(12)9(13)14/h2-3,7,12H,1H3,(H,13,14).
What are the key properties of 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid?
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid has a molecular weight of 251.06 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 171009337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).