2-(2,5-dichloro-3-methoxyphenyl)acetic acid

C9H8Cl2O3 — CID 54236856

IUPAC2-(2,5-dichloro-3-methoxyphenyl)acetic acid
SMILESCOc1cc(Cl)cc(CC(=O)O)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-14-7-4-6(10)2-5(9(7)11)3-8(12)13/h2,4H,3H2,1H3,(H,12,13)
InChIKeyQNEGUSSCVPDPJU-UHFFFAOYSA-N
MW235.07 g/mol
LogP2.63
Rot. Bonds3

About 2-(2,5-dichloro-3-methoxyphenyl)acetic acid

2-(2,5-dichloro-3-methoxyphenyl)acetic acid (PubChem CID 54236856) has the molecular formula C9H8Cl2O3 and a molecular weight of 235.07 g/mol. Its IUPAC name is 2-(2,5-dichloro-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dichloro-3-methoxyphenyl)acetic acid
PubChem CID54236856
Molecular FormulaC9H8Cl2O3
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name2-(2,5-dichloro-3-methoxyphenyl)acetic acid
SMILESCOc1cc(Cl)cc(CC(=O)O)c1Cl
InChIInChI=1S/C9H8Cl2O3/c1-14-7-4-6(10)2-5(9(7)11)3-8(12)13/h2,4H,3H2,1H3,(H,12,13)
InChIKeyQNEGUSSCVPDPJU-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-(2-bromo-4-chloro-6-methoxyphenyl)acetic acid
CID 84811631
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654
2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003
2-[carboxymethyl-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 104667211
2-(5-chloro-3-methoxy-2-pyridinyl)acetic acid
CID 84670284
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)propanoic acid
CID 117395312
4-(2,5-dichloro-3-methoxyphenyl)butan-1-amine
CID 117372775
3-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]propanoic acid
CID 104663774
3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
CID 83899882
5-chloro-1-ethyl-3-methoxy-2-methylbenzene
CID 157390300
3-(bromomethyl)-4-chloro-5-methoxybenzoic acid
CID 90419079

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2,5-dichloro-3-methoxyphenyl)acetic acid (CID 54236856) is 2-(2,5-dichloro-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2,5-dichloro-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2,5-dichloro-3-methoxyphenyl)acetic acid is COc1cc(Cl)cc(CC(=O)O)c1Cl.
What is the InChIKey of 2-(2,5-dichloro-3-methoxyphenyl)acetic acid?
The InChIKey is QNEGUSSCVPDPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O3/c1-14-7-4-6(10)2-5(9(7)11)3-8(12)13/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2-(2,5-dichloro-3-methoxyphenyl)acetic acid?
2-(2,5-dichloro-3-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-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 54236856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).