(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid

C16H15ClO3 — CID 42051145

IUPAC(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@H](C(=O)O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-20-14-4-2-3-11(9-14)10-15(16(18)19)12-5-7-13(17)8-6-12/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyORMNIOYDDTWHCH-HNNXBMFYSA-N
MW290.75 g/mol
LogP3.76
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid

(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid (PubChem CID 42051145) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
PubChem CID42051145
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@H](C(=O)O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClO3/c1-20-14-4-2-3-11(9-14)10-15(16(18)19)12-5-7-13(17)8-6-12/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyORMNIOYDDTWHCH-HNNXBMFYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 82141109
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
2-(4-chlorophenyl)sulfanyl-3-(3-methoxyphenyl)propanoic acid
CID 133241012
3-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-phenylpropanoic acid
CID 22687005
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 82185120
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
2-(5-chloro-2-methoxyphenyl)-3-(3-ethoxyphenyl)propanoic acid
CID 83954789

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid (CID 42051145) is (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid is COc1cccc(C[C@H](C(=O)O)c2ccc(Cl)cc2)c1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is ORMNIOYDDTWHCH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-20-14-4-2-3-11(9-14)10-15(16(18)19)12-5-7-13(17)8-6-12/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid?
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 42051145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).