4-ethyl-2-phenylhexanoic acid

C14H20O2 — CID 81009184

IUPAC4-ethyl-2-phenylhexanoic acid
SMILESCCC(CC)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-11(4-2)10-13(14(15)16)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyRNIGFXSDDBUCHQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.68
Rot. Bonds6

About 4-ethyl-2-phenylhexanoic acid

4-ethyl-2-phenylhexanoic acid (PubChem CID 81009184) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-ethyl-2-phenylhexanoic acid.

Molecular Properties

Compound Name4-ethyl-2-phenylhexanoic acid
PubChem CID81009184
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-ethyl-2-phenylhexanoic acid
SMILESCCC(CC)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-11(4-2)10-13(14(15)16)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyRNIGFXSDDBUCHQ-UHFFFAOYSA-N
XLogP3.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-2-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

4-iodo-2-phenylpentanoic acid
CID 134988411
4-methyl-2-phenylheptanoic acid
CID 65430207
(2R)-4,4-difluoro-2-phenylbutanoic acid
CID 95757342
4-ethyl-2-(3-fluorophenyl)octanoic acid
CID 79440327
4-oxo-2-phenylhexanoic acid
CID 13284198
4-methyl-2,5-diphenylpentanoic acid
CID 82160563
(2R)-2-phenylbutanamide
CID 139147476
2-(4-benzoylphenyl)butanoic acid
CID 22621594
bis(2-ethylbutyl) 2,5-diphenylhexanedioate
CID 518262
2-phenylbutanedioic acid
CID 161009404
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenylhexanoic acid?
The IUPAC name of 4-ethyl-2-phenylhexanoic acid (CID 81009184) is 4-ethyl-2-phenylhexanoic acid.
What is the SMILES notation for 4-ethyl-2-phenylhexanoic acid?
The canonical SMILES for 4-ethyl-2-phenylhexanoic acid is CCC(CC)CC(C(=O)O)c1ccccc1.
What is the InChIKey of 4-ethyl-2-phenylhexanoic acid?
The InChIKey is RNIGFXSDDBUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-11(4-2)10-13(14(15)16)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-2-phenylhexanoic acid?
4-ethyl-2-phenylhexanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenylhexanoic acid is sourced from PubChem (CID 81009184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).