(2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid

C17H16Cl2O3 — CID 73356438

IUPAC(2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid
SMILESO=C(O)[C@H](CCCc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O3/c18-13-6-4-12(5-7-13)2-1-3-16(17(20)21)22-15-10-8-14(19)9-11-15/h4-11,16H,1-3H2,(H,20,21)/t16-/m0/s1
InChIKeyDYMKKSCJTKAYLD-INIZCTEOSA-N
MW339.22 g/mol
LogP4.85
Rot. Bonds7

About (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid

(2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid (PubChem CID 73356438) has the molecular formula C17H16Cl2O3 and a molecular weight of 339.22 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid
PubChem CID73356438
Molecular FormulaC17H16Cl2O3
Molecular Weight339.22 g/mol
Exact Mass338.05
IUPAC Name(2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid
SMILESO=C(O)[C@H](CCCc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2O3/c18-13-6-4-12(5-7-13)2-1-3-16(17(20)21)22-15-10-8-14(19)9-11-15/h4-11,16H,1-3H2,(H,20,21)/t16-/m0/s1
InChIKeyDYMKKSCJTKAYLD-INIZCTEOSA-N
XLogP4.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid (CID 73356438) is (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid is O=C(O)[C@H](CCCc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid?
The InChIKey is DYMKKSCJTKAYLD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16Cl2O3/c18-13-6-4-12(5-7-13)2-1-3-16(17(20)21)22-15-10-8-14(19)9-11-15/h4-11,16H,1-3H2,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid?
(2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid has a molecular weight of 339.22 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-5-(4-chlorophenyl)pentanoic acid is sourced from PubChem (CID 73356438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).