2-(2,5-dichloro-4-methoxyphenyl)acetic acid

C9H8Cl2O3 — CID 5202225

IUPAC2-(2,5-dichloro-4-methoxyphenyl)acetic acid
SMILESCOc1cc(Cl)c(CC(=O)O)cc1Cl
InChIInChI=1S/C9H8Cl2O3/c1-14-8-4-6(10)5(2-7(8)11)3-9(12)13/h2,4H,3H2,1H3,(H,12,13)
InChIKeyUQGLFLKHXRSTHV-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.63
Rot. Bonds3

About 2-(2,5-dichloro-4-methoxyphenyl)acetic acid

2-(2,5-dichloro-4-methoxyphenyl)acetic acid (PubChem CID 5202225) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methoxyphenyl)acetic acid
PubChem CID5202225
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name2-(2,5-dichloro-4-methoxyphenyl)acetic acid
SMILESCOc1cc(Cl)c(CC(=O)O)cc1Cl
InChIInChI=1S/C9H8Cl2O3/c1-14-8-4-6(10)5(2-7(8)11)3-9(12)13/h2,4H,3H2,1H3,(H,12,13)
InChIKeyUQGLFLKHXRSTHV-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
2-(2-bromo-4-chloro-5-methoxyphenyl)acetic acid
CID 84811630
2-(2-chloro-4-methoxy-5-nitrophenyl)acetic acid
CID 171002675
2-(5-chloro-4-methoxy-2-nitrophenyl)acetic acid
CID 171003063
(E)-4-(2,5-dichloro-4-methoxyphenyl)but-2-enoic acid
CID 116866032
2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84797143
3-(2,5-dichloro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116917973
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
CID 110769539
4-(5-chloro-2-ethyl-4-methoxyphenyl)butanoic acid
CID 117395261
2-(2,5-dichloro-4-methoxyphenyl)ethylurea
CID 115168522
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)acetic acid (CID 5202225) is 2-(2,5-dichloro-4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,5-dichloro-4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,5-dichloro-4-methoxyphenyl)acetic acid is COc1cc(Cl)c(CC(=O)O)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methoxyphenyl)acetic acid?
The InChIKey is UQGLFLKHXRSTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-14-8-4-6(10)5(2-7(8)11)3-9(12)13/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2-(2,5-dichloro-4-methoxyphenyl)acetic acid?
2-(2,5-dichloro-4-methoxyphenyl)acetic acid has a molecular weight of 235.07 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methoxyphenyl)acetic acid is sourced from PubChem (CID 5202225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).