(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid

C16H14Cl2O4 — CID 67627355

IUPAC(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
SMILESCC[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C16H14Cl2O4/c1-2-14(16(19)20)21-11-4-6-12(7-5-11)22-15-8-3-10(17)9-13(15)18/h3-9,14H,2H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyQCXMBVFCOYNXOG-AWEZNQCLSA-N
MW341.19 g/mol
LogP5.03
Rot. Bonds6

About (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid

(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid (PubChem CID 67627355) has the molecular formula C16H14Cl2O4 and a molecular weight of 341.19 g/mol. Its IUPAC name is (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
PubChem CID67627355
Molecular FormulaC16H14Cl2O4
Molecular Weight341.19 g/mol
Exact Mass340.03
IUPAC Name(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
SMILESCC[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O
InChIInChI=1S/C16H14Cl2O4/c1-2-14(16(19)20)21-11-4-6-12(7-5-11)22-15-8-3-10(17)9-13(15)18/h3-9,14H,2H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyQCXMBVFCOYNXOG-AWEZNQCLSA-N
XLogP5.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.19
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,4-dichlorophenoxy)phenoxy]propan-1-ol
CID 12804883
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
2-(4-chlorophenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 133241354
2-(3,4-difluorophenoxy)butanoic acid
CID 43808864
propan-2-yl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
CID 12767799
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100550282
2-(4-chloro-2-methylphenoxy)-4-(4-chlorophenoxy)pentanedioic acid
CID 90997814
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]butanoic acid
CID 64661973
2-(4-chloro-2-formylphenoxy)butanoic acid
CID 22057855
(2R)-2-(4-tert-butylphenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 100550157
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100550207
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid?
The IUPAC name of (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid (CID 67627355) is (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid.
What is the SMILES notation for (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid?
The canonical SMILES for (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid is CC[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid?
The InChIKey is QCXMBVFCOYNXOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14Cl2O4/c1-2-14(16(19)20)21-11-4-6-12(7-5-11)22-15-8-3-10(17)9-13(15)18/h3-9,14H,2H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid?
(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid has a molecular weight of 341.19 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid is sourced from PubChem (CID 67627355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).