(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid

C15H20O4 — CID 67881897

IUPAC(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid
SMILESCOC(=O)C[C@@H](CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H20O4/c1-19-14(16)11-13(15(17)18)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyKLHAWAAMKWWETQ-CYBMUJFWSA-N
MW264.32 g/mol
LogP2.66
Rot. Bonds8

About (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid

(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid (PubChem CID 67881897) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid
PubChem CID67881897
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid
SMILESCOC(=O)C[C@@H](CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H20O4/c1-19-14(16)11-13(15(17)18)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyKLHAWAAMKWWETQ-CYBMUJFWSA-N
XLogP2.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic 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

(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
6-phenyl-2-(sulfanylmethyl)hexanoic acid
CID 10900700
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
methyl 2-amino-6-phenylhexanoate
CID 76830671
methyl (3R)-3-(2-phenylethyl)decanoate
CID 102157695
methyl 3-methyl-4-phenylbutanoate;methyl 3-methyl-6-phenylhexanoate;6-phenylhexanoic acid
CID 161176679
methyl 2-fluoro-6-phenylhexanoate
CID 46222020
2-(8-phenyloctyl)propanedioic acid
CID 20544236
(2S,3R)-3-hydroxy-2-methyl-7-phenylheptanoic acid
CID 57188911
2-[3-(4-methoxyphenyl)propyl]butanedioic acid
CID 54505508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid?
The IUPAC name of (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid (CID 67881897) is (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid.
What is the SMILES notation for (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid?
The canonical SMILES for (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid is COC(=O)C[C@@H](CCCCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid?
The InChIKey is KLHAWAAMKWWETQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20O4/c1-19-14(16)11-13(15(17)18)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid?
(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid is sourced from PubChem (CID 67881897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).