2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid

C16H15ClO3 — CID 117244362

IUPAC2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
SMILESCc1cccc(OCC(C(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO3/c1-11-5-4-6-12(9-11)20-10-14(16(18)19)13-7-2-3-8-15(13)17/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyGZYSKQZCSNOLGC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.90
Rot. Bonds5

About 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid

2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid (PubChem CID 117244362) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
PubChem CID117244362
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid
SMILESCc1cccc(OCC(C(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C16H15ClO3/c1-11-5-4-6-12(9-11)20-10-14(16(18)19)13-7-2-3-8-15(13)17/h2-9,14H,10H2,1H3,(H,18,19)
InChIKeyGZYSKQZCSNOLGC-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-4-(3-methylphenoxy)butanoic acid
CID 82136581
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
3-(3-methylphenoxy)-2-pyridin-2-ylpropanoic acid
CID 117241497
3-(3-methoxyphenoxy)-2-(2-methylphenyl)propanoic acid
CID 117244358
methyl 2-(2-chlorophenyl)-3-(3-hydroxyphenoxy)propanoate
CID 117244378
5-(3-methylphenoxy)-2-(2-methylphenyl)pentanoic acid
CID 82136641
3-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)propanoic acid
CID 106865459
2-benzyl-3-(3-methylphenoxy)propanoic acid
CID 117241645
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105099504
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)propanoic acid
CID 79439562
2-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propanoic acid
CID 79439415

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid (CID 117244362) is 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid is Cc1cccc(OCC(C(=O)O)c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid?
The InChIKey is GZYSKQZCSNOLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-5-4-6-12(9-11)20-10-14(16(18)19)13-7-2-3-8-15(13)17/h2-9,14H,10H2,1H3,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid?
2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3-methylphenoxy)propanoic acid is sourced from PubChem (CID 117244362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).