2-methyl-1,4-diphenylbutan-1-one

C17H18O — CID 11413736

IUPAC2-methyl-1,4-diphenylbutan-1-one
SMILESCC(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18O/c1-14(12-13-15-8-4-2-5-9-15)17(18)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyLQRQWEUZUWZEPQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.14
Rot. Bonds5

About 2-methyl-1,4-diphenylbutan-1-one

2-methyl-1,4-diphenylbutan-1-one (PubChem CID 11413736) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-1,4-diphenylbutan-1-one.

Molecular Properties

Compound Name2-methyl-1,4-diphenylbutan-1-one
PubChem CID11413736
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-methyl-1,4-diphenylbutan-1-one
SMILESCC(CCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H18O/c1-14(12-13-15-8-4-2-5-9-15)17(18)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyLQRQWEUZUWZEPQ-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102
2-methyl-4-phenylbutanoic acid
CID 66896591
3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one
CID 101155238
5-hydroxy-2-methyl-1-phenylpentan-1-one
CID 67106278
4-cyclopropyl-2-methyl-1-phenylbutan-1-one
CID 104845058
2,3-dihydroxy-1,5-diphenylpentan-1-one
CID 12776717
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
(2S,3R)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]-4-methyl-1-phenylpentan-1-one
CID 101224854
5-ethoxy-2-methyl-1-phenylpentan-1-one
CID 104845070
(3S)-3-methyl-4-oxo-4-phenylbutanoic acid
CID 51900528
3-methyl-4-oxo-4-phenylbutanoic acid
CID 12559087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-diphenylbutan-1-one?
The IUPAC name of 2-methyl-1,4-diphenylbutan-1-one (CID 11413736) is 2-methyl-1,4-diphenylbutan-1-one.
What is the SMILES notation for 2-methyl-1,4-diphenylbutan-1-one?
The canonical SMILES for 2-methyl-1,4-diphenylbutan-1-one is CC(CCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-methyl-1,4-diphenylbutan-1-one?
The InChIKey is LQRQWEUZUWZEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-14(12-13-15-8-4-2-5-9-15)17(18)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3.
What are the key properties of 2-methyl-1,4-diphenylbutan-1-one?
2-methyl-1,4-diphenylbutan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-diphenylbutan-1-one is sourced from PubChem (CID 11413736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).