2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid

C10H10Cl2O3 — CID 82296774

IUPAC2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
SMILESCOc1cc(C)c(C(Cl)C(=O)O)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-5-3-8(15-2)7(11)4-6(5)9(12)10(13)14/h3-4,9H,1-2H3,(H,13,14)
InChIKeyIPSXRXCINFVIPX-UHFFFAOYSA-N
MW249.09 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid

2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid (PubChem CID 82296774) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
PubChem CID82296774
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
SMILESCOc1cc(C)c(C(Cl)C(=O)O)cc1Cl
InChIInChI=1S/C10H10Cl2O3/c1-5-3-8(15-2)7(11)4-6(5)9(12)10(13)14/h3-4,9H,1-2H3,(H,13,14)
InChIKeyIPSXRXCINFVIPX-UHFFFAOYSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(5-chloro-4-methoxy-2-methylphenyl)propan-1-ol
CID 116863671
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
methyl 2-(5-chloro-4-methoxy-2-methylphenyl)butanoate
CID 116964394
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 116836078
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 116939033
(2S)-2-bromo-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 135281200
1-(5-chloro-4-methoxy-2-methylphenyl)-2-sulfanylethanol
CID 116829994
3-amino-3-(4-chloro-5-methoxy-2-methylphenyl)propanoic acid
CID 84802119
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid?
The IUPAC name of 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid (CID 82296774) is 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid?
The canonical SMILES for 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid is COc1cc(C)c(C(Cl)C(=O)O)cc1Cl.
What is the InChIKey of 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid?
The InChIKey is IPSXRXCINFVIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c1-5-3-8(15-2)7(11)4-6(5)9(12)10(13)14/h3-4,9H,1-2H3,(H,13,14).
What are the key properties of 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid?
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid has a molecular weight of 249.09 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid is sourced from PubChem (CID 82296774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).