2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid

C16H13Cl3O2 — CID 83954730

IUPAC2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(Cl)cc2Cl)C(=O)O)cc1Cl
InChIInChI=1S/C16H13Cl3O2/c1-9-2-3-10(7-14(9)18)13(16(20)21)6-11-4-5-12(17)8-15(11)19/h2-5,7-8,13H,6H2,1H3,(H,20,21)
InChIKeyGRCNSLLWRPTEDB-UHFFFAOYSA-N
MW343.64 g/mol
LogP5.37
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid

2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid (PubChem CID 83954730) has the molecular formula C16H13Cl3O2 and a molecular weight of 343.64 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid
PubChem CID83954730
Molecular FormulaC16H13Cl3O2
Molecular Weight343.64 g/mol
Exact Mass342.00
IUPAC Name2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(Cl)cc2Cl)C(=O)O)cc1Cl
InChIInChI=1S/C16H13Cl3O2/c1-9-2-3-10(7-14(9)18)13(16(20)21)6-11-4-5-12(17)8-15(11)19/h2-5,7-8,13H,6H2,1H3,(H,20,21)
InChIKeyGRCNSLLWRPTEDB-UHFFFAOYSA-N
XLogP5.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.64
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
2-(4-chlorophenyl)-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 116519749
2-[2-carboxy-2-(3,4-dichlorophenyl)ethyl]benzoic acid
CID 83954012
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
2-(3-chloro-4-methylphenyl)-2-sulfanylacetic acid
CID 172693927
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
carboxyiminocarbamic acid;2,4-dichloro-1-methylbenzene
CID 118954379
2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
CID 82139353
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid (CID 83954730) is 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid is Cc1ccc(C(Cc2ccc(Cl)cc2Cl)C(=O)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid?
The InChIKey is GRCNSLLWRPTEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3O2/c1-9-2-3-10(7-14(9)18)13(16(20)21)6-11-4-5-12(17)8-15(11)19/h2-5,7-8,13H,6H2,1H3,(H,20,21).
What are the key properties of 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid?
2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid has a molecular weight of 343.64 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 83954730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).