5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one

C15H22O2 — CID 132597694

IUPAC5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one
SMILESCCC(=O)C(C)C(C)c1ccccc1CCO
InChIInChI=1S/C15H22O2/c1-4-15(17)12(3)11(2)14-8-6-5-7-13(14)9-10-16/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyMNHHIFFWEQTNIW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.94
Rot. Bonds6

About 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one

5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one (PubChem CID 132597694) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one.

Molecular Properties

Compound Name5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one
PubChem CID132597694
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one
SMILESCCC(=O)C(C)C(C)c1ccccc1CCO
InChIInChI=1S/C15H22O2/c1-4-15(17)12(3)11(2)14-8-6-5-7-13(14)9-10-16/h5-8,11-12,16H,4,9-10H2,1-3H3
InChIKeyMNHHIFFWEQTNIW-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate
CID 171866052
(4S,5R)-5-hydroxy-4-methyl-7-phenylheptan-3-one
CID 11042266
(1R,2R)-1-hydroxy-2-methyl-1-naphthalen-1-ylpentan-3-one
CID 14387515
4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968
1-[2-(2-hydroxyethyl)phenyl]butane-1,2,4-triol
CID 171872248
5-[2-(1-aminoethyl)phenyl]pentan-2-one
CID 123707343
ethanol;2-(2-methylphenyl)ethanol
CID 69408748
1-(2-ethylphenyl)-3-methylbutan-2-one
CID 20612116
3-chloro-1-[2-(2-hydroxyethyl)phenyl]propane-1,2-diol
CID 171861982
2-[2-(2-carboxyethyl)phenyl]propanoic acid
CID 18790695
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one?
The IUPAC name of 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one (CID 132597694) is 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one.
What is the SMILES notation for 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one?
The canonical SMILES for 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one is CCC(=O)C(C)C(C)c1ccccc1CCO.
What is the InChIKey of 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one?
The InChIKey is MNHHIFFWEQTNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-15(17)12(3)11(2)14-8-6-5-7-13(14)9-10-16/h5-8,11-12,16H,4,9-10H2,1-3H3.
What are the key properties of 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one?
5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one has a molecular weight of 234.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-hydroxyethyl)phenyl]-4-methylhexan-3-one is sourced from PubChem (CID 132597694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).