(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid

C17H17ClO5 — CID 100545345

IUPAC(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c(OC)c1
InChIInChI=1S/C17H17ClO5/c1-21-14-6-3-11(15(10-14)22-2)9-16(17(19)20)23-13-7-4-12(18)5-8-13/h3-8,10,16H,9H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyPZXIKGNXAMRORQ-MRXNPFEDSA-N
MW336.77 g/mol
LogP3.43
Rot. Bonds7

About (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid

(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid (PubChem CID 100545345) has the molecular formula C17H17ClO5 and a molecular weight of 336.77 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
PubChem CID100545345
Molecular FormulaC17H17ClO5
Molecular Weight336.77 g/mol
Exact Mass336.08
IUPAC Name(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c(OC)c1
InChIInChI=1S/C17H17ClO5/c1-21-14-6-3-11(15(10-14)22-2)9-16(17(19)20)23-13-7-4-12(18)5-8-13/h3-8,10,16H,9H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyPZXIKGNXAMRORQ-MRXNPFEDSA-N
XLogP3.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545329
(2S)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547133
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124
2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240973
(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
(2R)-3-(2,4-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100545736
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100537024
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100550282
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
(2S)-3-(2,4-dimethoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100545560
(2S)-3-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanoic acid
CID 100539625

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid (CID 100545345) is (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid is COc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c(OC)c1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid?
The InChIKey is PZXIKGNXAMRORQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17ClO5/c1-21-14-6-3-11(15(10-14)22-2)9-16(17(19)20)23-13-7-4-12(18)5-8-13/h3-8,10,16H,9H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid?
(2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid has a molecular weight of 336.77 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 100545345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).