3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid

C16H15ClO4 — CID 117243488

IUPAC3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(COc2ccc(Cl)cc2)C(=O)O)c1
InChIInChI=1S/C16H15ClO4/c1-20-14-4-2-3-11(9-14)15(16(18)19)10-21-13-7-5-12(17)6-8-13/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyUKJWMXDXVLRJSZ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.60
Rot. Bonds6

About 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid

3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid (PubChem CID 117243488) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
PubChem CID117243488
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(COc2ccc(Cl)cc2)C(=O)O)c1
InChIInChI=1S/C16H15ClO4/c1-20-14-4-2-3-11(9-14)15(16(18)19)10-21-13-7-5-12(17)6-8-13/h2-9,15H,10H2,1H3,(H,18,19)
InChIKeyUKJWMXDXVLRJSZ-UHFFFAOYSA-N
XLogP3.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
2-(3-chlorophenyl)-3-(3-methoxyphenoxy)propanoic acid
CID 117243423
3-(2-hydroxyphenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243386
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
3-(3-methoxyphenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245230
3-(3-chlorophenoxy)-2-(3-hydroxyphenyl)propanoic acid
CID 117243432
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
3-(4-chlorophenoxy)-2-(4-hydroxyphenyl)propanoic acid
CID 117245303
methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472
5-amino-2-(3-methoxyphenyl)pentanoic acid
CID 112511837
2-(3-chlorophenyl)-3-(2-methoxyphenoxy)propanoic acid
CID 117243365
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid (CID 117243488) is 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid is COc1cccc(C(COc2ccc(Cl)cc2)C(=O)O)c1.
What is the InChIKey of 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid?
The InChIKey is UKJWMXDXVLRJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-14-4-2-3-11(9-14)15(16(18)19)10-21-13-7-5-12(17)6-8-13/h2-9,15H,10H2,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid?
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 117243488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).