2-ethyl-1,2-diphenylbutan-1-one

C18H20O — CID 21330983

IUPAC2-ethyl-1,2-diphenylbutan-1-one
SMILESCCC(CC)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-3-18(4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3
InChIKeyVAGFQXXYUIKROM-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.63
Rot. Bonds5

About 2-ethyl-1,2-diphenylbutan-1-one

2-ethyl-1,2-diphenylbutan-1-one (PubChem CID 21330983) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethyl-1,2-diphenylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1,2-diphenylbutan-1-one
PubChem CID21330983
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-ethyl-1,2-diphenylbutan-1-one
SMILESCCC(CC)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O/c1-3-18(4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3
InChIKeyVAGFQXXYUIKROM-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-one
CID 63409962
3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one
CID 150106671
4-ethyl-4-phenylhexan-3-one
CID 63083231
2,2-dihydroxy-1-phenylbutan-1-one
CID 57064047
1-(3-bromofuran-2-yl)-2-ethyl-2-phenylbutan-1-one
CID 63941452
2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one
CID 63975916
1-(cyclohepten-1-yl)-2-ethyl-2-phenylbutan-1-one
CID 106651828
1-phenyl-2,2-bis(trifluoromethyl)butan-1-one
CID 71529526
2-ethyl-2-hydroxy-1-phenylbutane-1,3-dione
CID 174851093
2-benzoyl-2-fluorobutanoic acid
CID 57285727
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
5-ethyl-2-methyl-5-phenylhept-1-en-4-one
CID 79179964

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2-diphenylbutan-1-one?
The IUPAC name of 2-ethyl-1,2-diphenylbutan-1-one (CID 21330983) is 2-ethyl-1,2-diphenylbutan-1-one.
What is the SMILES notation for 2-ethyl-1,2-diphenylbutan-1-one?
The canonical SMILES for 2-ethyl-1,2-diphenylbutan-1-one is CCC(CC)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-ethyl-1,2-diphenylbutan-1-one?
The InChIKey is VAGFQXXYUIKROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-18(4-2,16-13-9-6-10-14-16)17(19)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1,2-diphenylbutan-1-one?
2-ethyl-1,2-diphenylbutan-1-one has a molecular weight of 252.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2-diphenylbutan-1-one is sourced from PubChem (CID 21330983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).