3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid

C16H14ClFO3 — CID 84752972

IUPAC3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(Cl)cc2F)C(=O)O)cc1
InChIInChI=1S/C16H14ClFO3/c1-21-13-6-3-10(4-7-13)14(16(19)20)8-11-2-5-12(17)9-15(11)18/h2-7,9,14H,8H2,1H3,(H,19,20)
InChIKeyIGMIUERIIKQHPD-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.90
Rot. Bonds5

About 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid

3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid (PubChem CID 84752972) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
PubChem CID84752972
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(Cc2ccc(Cl)cc2F)C(=O)O)cc1
InChIInChI=1S/C16H14ClFO3/c1-21-13-6-3-10(4-7-13)14(16(19)20)8-11-2-5-12(17)9-15(11)18/h2-7,9,14H,8H2,1H3,(H,19,20)
InChIKeyIGMIUERIIKQHPD-UHFFFAOYSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141810
3-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141717
[2-(4-chloro-2-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190866
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
2-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)propanoic acid
CID 83950889
3-(4-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 131151024
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 100655140
3-(2,5-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83956145

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid (CID 84752972) is 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid is COc1ccc(C(Cc2ccc(Cl)cc2F)C(=O)O)cc1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid?
The InChIKey is IGMIUERIIKQHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-21-13-6-3-10(4-7-13)14(16(19)20)8-11-2-5-12(17)9-15(11)18/h2-7,9,14H,8H2,1H3,(H,19,20).
What are the key properties of 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid?
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid has a molecular weight of 308.74 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 3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 84752972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).