3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one

C18H20O2 — CID 101155238

IUPAC3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one
SMILESCC(O)C(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(19)17(13-12-15-8-4-2-5-9-15)18(20)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3
InChIKeyHIQDJNJLYWFZJV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.50
Rot. Bonds6

About 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one

3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one (PubChem CID 101155238) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one
PubChem CID101155238
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one
SMILESCC(O)C(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(19)17(13-12-15-8-4-2-5-9-15)18(20)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3
InChIKeyHIQDJNJLYWFZJV-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2,3-dihydroxy-1,5-diphenylpentan-1-one
CID 12776717
(2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one
CID 101224854
(2R,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-1-phenylhexan-1-one
CID 11221099
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
2-methyl-4-phenylbutanoic acid
CID 66896591
2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
2-benzoyl-11-phenylundecanoic acid
CID 54512178
2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
2,2,3-trimethyl-5-phenylpentanoic acid
CID 66734335
(2S,3R)-2-ethyl-3-hydroxy-4-methyl-1-phenylpentan-1-one
CID 15750969
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one?
The IUPAC name of 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one (CID 101155238) is 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one.
What is the SMILES notation for 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one?
The canonical SMILES for 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one is CC(O)C(CCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one?
The InChIKey is HIQDJNJLYWFZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(19)17(13-12-15-8-4-2-5-9-15)18(20)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3.
What are the key properties of 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one?
3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one has a molecular weight of 268.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one is sourced from PubChem (CID 101155238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).