(2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid

C17H17ClO3 — CID 73347299

IUPAC(2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid
SMILESO=C(O)[C@H](CCCc1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c18-14-9-11-15(12-10-14)21-16(17(19)20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12,16H,4,7-8H2,(H,19,20)/t16-/m0/s1
InChIKeyKDRFONXTXKLKBO-INIZCTEOSA-N
MW304.77 g/mol
LogP4.19
Rot. Bonds7

About (2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid

(2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid (PubChem CID 73347299) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid
PubChem CID73347299
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid
SMILESO=C(O)[C@H](CCCc1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClO3/c18-14-9-11-15(12-10-14)21-16(17(19)20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12,16H,4,7-8H2,(H,19,20)/t16-/m0/s1
InChIKeyKDRFONXTXKLKBO-INIZCTEOSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.19
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-phenylpentanoic acid?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid (CID 73347299) is (2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid is O=C(O)[C@H](CCCc1ccccc1)Oc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid?
The InChIKey is KDRFONXTXKLKBO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClO3/c18-14-9-11-15(12-10-14)21-16(17(19)20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12,16H,4,7-8H2,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid?
(2S)-2-(4-chlorophenoxy)-5-phenylpentanoic acid has a molecular weight of 304.77 g/mol, XLogP of 4.19, 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-phenylpentanoic acid is sourced from PubChem (CID 73347299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).