2-ethyl-2-hydroxy-1-phenylhexan-1-one

C14H20O2 — CID 3018279

IUPAC2-ethyl-2-hydroxy-1-phenylhexan-1-one
SMILESCCCCC(O)(CC)C(=O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-5-11-14(16,4-2)13(15)12-9-7-6-8-10-12/h6-10,16H,3-5,11H2,1-2H3
InChIKeyUBXPMARKFVFATG-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.20
Rot. Bonds6

About 2-ethyl-2-hydroxy-1-phenylhexan-1-one

2-ethyl-2-hydroxy-1-phenylhexan-1-one (PubChem CID 3018279) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-1-phenylhexan-1-one.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-1-phenylhexan-1-one
PubChem CID3018279
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-ethyl-2-hydroxy-1-phenylhexan-1-one
SMILESCCCCC(O)(CC)C(=O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-3-5-11-14(16,4-2)13(15)12-9-7-6-8-10-12/h6-10,16H,3-5,11H2,1-2H3
InChIKeyUBXPMARKFVFATG-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-hydroxy-1-phenylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-1-phenylhexan-1-one?
The IUPAC name of 2-ethyl-2-hydroxy-1-phenylhexan-1-one (CID 3018279) is 2-ethyl-2-hydroxy-1-phenylhexan-1-one.
What is the SMILES notation for 2-ethyl-2-hydroxy-1-phenylhexan-1-one?
The canonical SMILES for 2-ethyl-2-hydroxy-1-phenylhexan-1-one is CCCCC(O)(CC)C(=O)c1ccccc1.
What is the InChIKey of 2-ethyl-2-hydroxy-1-phenylhexan-1-one?
The InChIKey is UBXPMARKFVFATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-5-11-14(16,4-2)13(15)12-9-7-6-8-10-12/h6-10,16H,3-5,11H2,1-2H3.
What are the key properties of 2-ethyl-2-hydroxy-1-phenylhexan-1-one?
2-ethyl-2-hydroxy-1-phenylhexan-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-1-phenylhexan-1-one is sourced from PubChem (CID 3018279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).