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

C16H15ClO4 — CID 100542483

IUPAC(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c1
InChIInChI=1S/C16H15ClO4/c1-20-14-4-2-3-11(9-14)10-15(16(18)19)21-13-7-5-12(17)6-8-13/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyQUBBTKRZZOVZMC-OAHLLOKOSA-N
MW306.75 g/mol
LogP3.42
Rot. Bonds6

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

(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid (PubChem CID 100542483) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
PubChem CID100542483
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c1
InChIInChI=1S/C16H15ClO4/c1-20-14-4-2-3-11(9-14)10-15(16(18)19)21-13-7-5-12(17)6-8-13/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyQUBBTKRZZOVZMC-OAHLLOKOSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
(2R)-2-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541246
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545345
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2S)-3-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanoic acid
CID 100539625
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
2-(3-methoxyphenoxy)-3-(3-nitrophenyl)propanoic acid
CID 133241275

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid (CID 100542483) is (2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid is COc1cccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is QUBBTKRZZOVZMC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-20-14-4-2-3-11(9-14)10-15(16(18)19)21-13-7-5-12(17)6-8-13/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid?
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid has a molecular weight of 306.75 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 100542483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).