(2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid

C18H19ClO3 — CID 11186225

IUPAC(2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid
SMILESCCC[C@H](OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C18H19ClO3/c1-2-3-17(18(20)21)22-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyDXAZLKAOWFRAEW-KRWDZBQOSA-N
MW318.80 g/mol
LogP4.78
Rot. Bonds7

About (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid

(2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid (PubChem CID 11186225) has the molecular formula C18H19ClO3 and a molecular weight of 318.80 g/mol. Its IUPAC name is (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid
PubChem CID11186225
Molecular FormulaC18H19ClO3
Molecular Weight318.80 g/mol
Exact Mass318.10
IUPAC Name(2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid
SMILESCCC[C@H](OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C18H19ClO3/c1-2-3-17(18(20)21)22-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyDXAZLKAOWFRAEW-KRWDZBQOSA-N
XLogP4.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid?
The IUPAC name of (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid (CID 11186225) is (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid.
What is the SMILES notation for (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid?
The canonical SMILES for (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid is CCC[C@H](OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid?
The InChIKey is DXAZLKAOWFRAEW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClO3/c1-2-3-17(18(20)21)22-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid?
(2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid has a molecular weight of 318.80 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-chlorophenyl)phenyl]methoxy]pentanoic acid is sourced from PubChem (CID 11186225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).