3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid

C16H15ClO3 — CID 166398717

IUPAC3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
SMILESCOc1cc(-c2ccccc2Cl)ccc1CCC(=O)O
InChIInChI=1S/C16H15ClO3/c1-20-15-10-12(13-4-2-3-5-14(13)17)7-6-11(15)8-9-16(18)19/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyOKQOLITWGNMRCY-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.03
Rot. Bonds5

About 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid

3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid (PubChem CID 166398717) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
PubChem CID166398717
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid
SMILESCOc1cc(-c2ccccc2Cl)ccc1CCC(=O)O
InChIInChI=1S/C16H15ClO3/c1-20-15-10-12(13-4-2-3-5-14(13)17)7-6-11(15)8-9-16(18)19/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyOKQOLITWGNMRCY-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[6-(3-chloro-4-methoxyphenyl)-2-methyl-3-pyridinyl]propanoic acid
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3-(4-ethyl-2-methoxyphenyl)propanoic acid
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3-(2-methoxy-4-methylsulfanylphenyl)propanoic acid
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CID 54565431
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
3-(2-chlorophenyl)-4,5-dimethoxybenzoic acid
CID 82039088
3-(2-bicyclo[3.1.0]hexa-1,3,5-trienyl)propanoic acid
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3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid?
The IUPAC name of 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid (CID 166398717) is 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid?
The canonical SMILES for 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid is COc1cc(-c2ccccc2Cl)ccc1CCC(=O)O.
What is the InChIKey of 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid?
The InChIKey is OKQOLITWGNMRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-20-15-10-12(13-4-2-3-5-14(13)17)7-6-11(15)8-9-16(18)19/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid?
3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)-2-methoxyphenyl]propanoic acid is sourced from PubChem (CID 166398717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).