(2R)-2-benzyl-6-phenylhexanoic acid

C19H22O2 — CID 131720158

IUPAC(2R)-2-benzyl-6-phenylhexanoic acid
SMILESO=C(O)[C@H](CCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22O2/c20-19(21)18(15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,18H,7-8,11,14-15H2,(H,20,21)/t18-/m1/s1
InChIKeyRAWSKONSJYQYRO-GOSISDBHSA-N
MW282.38 g/mol
LogP4.34
Rot. Bonds8

About (2R)-2-benzyl-6-phenylhexanoic acid

(2R)-2-benzyl-6-phenylhexanoic acid (PubChem CID 131720158) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R)-2-benzyl-6-phenylhexanoic acid.

Molecular Properties

Compound Name(2R)-2-benzyl-6-phenylhexanoic acid
PubChem CID131720158
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2R)-2-benzyl-6-phenylhexanoic acid
SMILESO=C(O)[C@H](CCCCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22O2/c20-19(21)18(15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,18H,7-8,11,14-15H2,(H,20,21)/t18-/m1/s1
InChIKeyRAWSKONSJYQYRO-GOSISDBHSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-2-benzyl-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

6-phenyl-2-(sulfanylmethyl)hexanoic acid
CID 10900700
2-[(3,4-dihydroxyphenyl)methyl]-8-phenyloctanoic acid
CID 137376047
2-benzyldodecanoic acid
CID 14250629
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
2-(8-phenyloctyl)propanedioic acid
CID 20544236
2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid
CID 63402472
2-(2-cyanoethyl)-6-phenylhexanoic acid
CID 172865631
4-amino-2-benzylbutanoic acid
CID 16679765
(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid
CID 67881897
2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
CID 14600094
5-phenyl-2-(phosphorosomethyl)pentanoic acid
CID 172849260
2-(benzylsulfanylmethyl)-5-phenylpentanoic acid
CID 18533017

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-6-phenylhexanoic acid?
The IUPAC name of (2R)-2-benzyl-6-phenylhexanoic acid (CID 131720158) is (2R)-2-benzyl-6-phenylhexanoic acid.
What is the SMILES notation for (2R)-2-benzyl-6-phenylhexanoic acid?
The canonical SMILES for (2R)-2-benzyl-6-phenylhexanoic acid is O=C(O)[C@H](CCCCc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-6-phenylhexanoic acid?
The InChIKey is RAWSKONSJYQYRO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22O2/c20-19(21)18(15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,18H,7-8,11,14-15H2,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-2-benzyl-6-phenylhexanoic acid?
(2R)-2-benzyl-6-phenylhexanoic acid has a molecular weight of 282.38 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-6-phenylhexanoic acid is sourced from PubChem (CID 131720158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).