6-hydroxy-3-(2-phenylethyl)hexan-2-one

C14H20O2 — CID 174363911

IUPAC6-hydroxy-3-(2-phenylethyl)hexan-2-one
SMILESCC(=O)C(CCCO)CCc1ccccc1
InChIInChI=1S/C14H20O2/c1-12(16)14(8-5-11-15)10-9-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3
InChIKeyWQENGNVFDCHYDB-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.60
Rot. Bonds7

About 6-hydroxy-3-(2-phenylethyl)hexan-2-one

6-hydroxy-3-(2-phenylethyl)hexan-2-one (PubChem CID 174363911) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-hydroxy-3-(2-phenylethyl)hexan-2-one.

Molecular Properties

Compound Name6-hydroxy-3-(2-phenylethyl)hexan-2-one
PubChem CID174363911
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-hydroxy-3-(2-phenylethyl)hexan-2-one
SMILESCC(=O)C(CCCO)CCc1ccccc1
InChIInChI=1S/C14H20O2/c1-12(16)14(8-5-11-15)10-9-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3
InChIKeyWQENGNVFDCHYDB-UHFFFAOYSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxyethyl)-5-phenylpentan-2-one
CID 103344035
[5-hydroxy-2-(2-phenylethyl)pentyl] acetate
CID 139794591
(3S,7R)-3,7-diethyl-9-phenylnonan-2-one
CID 101041675
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867
(9-hydroxy-1-phenylnonan-3-yl) acetate
CID 10850236
2-ethyl-4-phenylbutanoic acid;hydrochloride
CID 174946521
3-benzylhexan-2-one
CID 12816361
3-methyl-6-phenylhexan-2-one
CID 59396975
3-amino-5-phenylpentan-2-one;propane
CID 143988472
4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol
CID 134896664
(6-hydroxy-2-methyl-1-phenylhexan-3-yl) acetate
CID 18942947
ethane;(3S)-3-(methylamino)-5-phenylpentan-2-one
CID 142958851

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-(2-phenylethyl)hexan-2-one?
The IUPAC name of 6-hydroxy-3-(2-phenylethyl)hexan-2-one (CID 174363911) is 6-hydroxy-3-(2-phenylethyl)hexan-2-one.
What is the SMILES notation for 6-hydroxy-3-(2-phenylethyl)hexan-2-one?
The canonical SMILES for 6-hydroxy-3-(2-phenylethyl)hexan-2-one is CC(=O)C(CCCO)CCc1ccccc1.
What is the InChIKey of 6-hydroxy-3-(2-phenylethyl)hexan-2-one?
The InChIKey is WQENGNVFDCHYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-12(16)14(8-5-11-15)10-9-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3.
What are the key properties of 6-hydroxy-3-(2-phenylethyl)hexan-2-one?
6-hydroxy-3-(2-phenylethyl)hexan-2-one has a molecular weight of 220.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-(2-phenylethyl)hexan-2-one is sourced from PubChem (CID 174363911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).