3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid

C16H15ClO3 — CID 133245547

IUPAC3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
SMILESCc1ccc(CC(Oc2ccccc2)C(=O)O)cc1Cl
InChIInChI=1S/C16H15ClO3/c1-11-7-8-12(9-14(11)17)10-15(16(18)19)20-13-5-3-2-4-6-13/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyVPYHFYLZWNVOCA-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.72
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid

3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid (PubChem CID 133245547) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
PubChem CID133245547
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
SMILESCc1ccc(CC(Oc2ccccc2)C(=O)O)cc1Cl
InChIInChI=1S/C16H15ClO3/c1-11-7-8-12(9-14(11)17)10-15(16(18)19)20-13-5-3-2-4-6-13/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyVPYHFYLZWNVOCA-UHFFFAOYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133245536
3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245535
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
(2S)-2-(3,4-dimethylphenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528641
(2S)-2-(3,4-dimethylphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544971
3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133241237
(2S)-3-(3,4-dimethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100528680
(2S)-3-(3-chloro-4-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanoic acid
CID 100547805
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid
CID 100540005

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid (CID 133245547) is 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid is Cc1ccc(CC(Oc2ccccc2)C(=O)O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid?
The InChIKey is VPYHFYLZWNVOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-7-8-12(9-14(11)17)10-15(16(18)19)20-13-5-3-2-4-6-13/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid?
3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid is sourced from PubChem (CID 133245547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).