(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid

C15H11Cl3O3 — CID 100540005

IUPAC(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccccc1Cl
InChIInChI=1S/C15H11Cl3O3/c16-10-6-5-9(7-12(10)18)8-14(15(19)20)21-13-4-2-1-3-11(13)17/h1-7,14H,8H2,(H,19,20)/t14-/m0/s1
InChIKeySYAOOQTUELMQFC-AWEZNQCLSA-N
MW345.61 g/mol
LogP4.72
Rot. Bonds5

About (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid

(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid (PubChem CID 100540005) has the molecular formula C15H11Cl3O3 and a molecular weight of 345.61 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid
PubChem CID100540005
Molecular FormulaC15H11Cl3O3
Molecular Weight345.61 g/mol
Exact Mass343.98
IUPAC Name(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccccc1Cl
InChIInChI=1S/C15H11Cl3O3/c16-10-6-5-9(7-12(10)18)8-14(15(19)20)21-13-4-2-1-3-11(13)17/h1-7,14H,8H2,(H,19,20)/t14-/m0/s1
InChIKeySYAOOQTUELMQFC-AWEZNQCLSA-N
XLogP4.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133241239
3-(4-bromophenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133245431
3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245535
(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
CID 16730463
3-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 133241251
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
3-(3-chloro-4-methylphenyl)-2-phenoxypropanoic acid
CID 133245547
2-[(3,4-dichlorophenyl)methyl]propanedioic acid
CID 69044923
(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306
2-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)propanoic acid
CID 60794085
(2S)-2-butoxy-3-(3,4-dichlorophenyl)propanoic acid
CID 100540443
(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100533098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid (CID 100540005) is (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid is O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)Oc1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid?
The InChIKey is SYAOOQTUELMQFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11Cl3O3/c16-10-6-5-9(7-12(10)18)8-14(15(19)20)21-13-4-2-1-3-11(13)17/h1-7,14H,8H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid?
(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid has a molecular weight of 345.61 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 100540005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).