3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid

C10H10Cl2O2 — CID 82366837

IUPAC3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid
SMILESCc1ccc(Cl)cc1C(Cl)CC(=O)O
InChIInChI=1S/C10H10Cl2O2/c1-6-2-3-7(11)4-8(6)9(12)5-10(13)14/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyGSADWAPGJSJPDH-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.40
Rot. Bonds3

About 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid

3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid (PubChem CID 82366837) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid
PubChem CID82366837
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid
SMILESCc1ccc(Cl)cc1C(Cl)CC(=O)O
InChIInChI=1S/C10H10Cl2O2/c1-6-2-3-7(11)4-8(6)9(12)5-10(13)14/h2-4,9H,5H2,1H3,(H,13,14)
InChIKeyGSADWAPGJSJPDH-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-2-methylphenyl)pentanedioic acid
CID 66759290
3-(4-chloro-2-methylphenyl)-3-hydroxypropanoic acid
CID 104880183
ethyl 4-chloro-4-(5-chloro-2-methylphenyl)butanoate
CID 82366938
3-(5-chloro-2-hydroxyphenyl)butanoic acid
CID 131360559
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
2-(5-chloro-2-fluorophenyl)butanedioic acid
CID 165450975
2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene
CID 82891112
4-[(5-chloro-2-methylbenzoyl)amino]-3-methylbutanoic acid
CID 82883425
3-chloro-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366778
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
3-(6-chloro-2-methylquinolin-4-yl)butanoic acid
CID 82666719
4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 82891392

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid?
The IUPAC name of 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid (CID 82366837) is 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid is Cc1ccc(Cl)cc1C(Cl)CC(=O)O.
What is the InChIKey of 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid?
The InChIKey is GSADWAPGJSJPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-6-2-3-7(11)4-8(6)9(12)5-10(13)14/h2-4,9H,5H2,1H3,(H,13,14).
What are the key properties of 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid?
3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid has a molecular weight of 233.09 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(5-chloro-2-methylphenyl)propanoic acid is sourced from PubChem (CID 82366837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).