1-(2,5-dimethylphenyl)-1-phenylbutan-2-one

C18H20O — CID 79307352

IUPAC1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
SMILESCCC(=O)C(c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C18H20O/c1-4-17(19)18(15-8-6-5-7-9-15)16-12-13(2)10-11-14(16)3/h5-12,18H,4H2,1-3H3
InChIKeyLTARZCPCAMEKTL-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.41
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one

1-(2,5-dimethylphenyl)-1-phenylbutan-2-one (PubChem CID 79307352) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
PubChem CID79307352
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-(2,5-dimethylphenyl)-1-phenylbutan-2-one
SMILESCCC(=O)C(c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C18H20O/c1-4-17(19)18(15-8-6-5-7-9-15)16-12-13(2)10-11-14(16)3/h5-12,18H,4H2,1-3H3
InChIKeyLTARZCPCAMEKTL-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylphenyl)-3-phenylbutanoic acid
CID 82140170
1-(2,5-dimethylphenyl)-1-phenylbutan-2-ol
CID 79299341
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid
CID 43135171
2-(3-chlorophenyl)-2-(2,5-dimethylphenyl)acetic acid
CID 82023364
N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide
CID 17327188
3-[[(2,5-dimethylphenyl)-phenylmethyl]amino]propanoic acid
CID 43322308
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
1,3-bis(2-methylphenyl)-1-phenylpropan-2-one
CID 15504285
1-(3,4-difluorophenyl)-1-phenylbutan-2-one
CID 167542388
2-(2,5-dimethylphenyl)-3-phenylpropanoic acid
CID 82139245
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
CID 43151186
N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 66438254

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one (CID 79307352) is 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one is CCC(=O)C(c1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one?
The InChIKey is LTARZCPCAMEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-4-17(19)18(15-8-6-5-7-9-15)16-12-13(2)10-11-14(16)3/h5-12,18H,4H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one?
1-(2,5-dimethylphenyl)-1-phenylbutan-2-one has a molecular weight of 252.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-phenylbutan-2-one is sourced from PubChem (CID 79307352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).