3-ethyl-2-phenylhexanoic acid

C14H20O2 — CID 143465377

IUPAC3-ethyl-2-phenylhexanoic acid
SMILESCCCC(CC)C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-8-11(4-2)13(14(15)16)12-9-6-5-7-10-12/h5-7,9-11,13H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyACJZFRZZFBGQAF-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.68
Rot. Bonds6

About 3-ethyl-2-phenylhexanoic acid

3-ethyl-2-phenylhexanoic acid (PubChem CID 143465377) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-ethyl-2-phenylhexanoic acid.

Molecular Properties

Compound Name3-ethyl-2-phenylhexanoic acid
PubChem CID143465377
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-ethyl-2-phenylhexanoic acid
SMILESCCCC(CC)C(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-8-11(4-2)13(14(15)16)12-9-6-5-7-10-12/h5-7,9-11,13H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyACJZFRZZFBGQAF-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

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Related Compounds

(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
3-ethyl-2-(4-hydroxy-3-methoxyphenyl)hexanoic acid
CID 118450223
(3S,4S)-4-hydroxy-3-phenylheptan-2-one
CID 95004321
4-ethoxy-3-ethoxycarbonyl-4-oxo-2-phenylbutanoic acid
CID 102417452
1-phenyl-2-propylpentan-1-ol
CID 82987900
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
4-ethylnonan-5-ylbenzene
CID 173025957
3,7-dimethyl-4-phenyldecan-5-one
CID 114968742
3-[hydroxy(methyl)phosphoryl]-2-phenylpentanoic acid
CID 19357757
2-ethyl-4-phenyl-3-propylhexanoic acid
CID 70503119
3-(ethylamino)-2,3-diphenylpropanoic acid
CID 50877823
2-phenyl-3-sulfanylbutanoic acid
CID 22460484

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-phenylhexanoic acid?
The IUPAC name of 3-ethyl-2-phenylhexanoic acid (CID 143465377) is 3-ethyl-2-phenylhexanoic acid.
What is the SMILES notation for 3-ethyl-2-phenylhexanoic acid?
The canonical SMILES for 3-ethyl-2-phenylhexanoic acid is CCCC(CC)C(C(=O)O)c1ccccc1.
What is the InChIKey of 3-ethyl-2-phenylhexanoic acid?
The InChIKey is ACJZFRZZFBGQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-8-11(4-2)13(14(15)16)12-9-6-5-7-10-12/h5-7,9-11,13H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 3-ethyl-2-phenylhexanoic acid?
3-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 3-ethyl-2-phenylhexanoic acid is sourced from PubChem (CID 143465377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).