2-methyl-3,4-diphenylcyclobutan-1-one

C17H16O — CID 12734579

IUPAC2-methyl-3,4-diphenylcyclobutan-1-one
SMILESCC1C(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H16O/c1-12-15(13-8-4-2-5-9-13)16(17(12)18)14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKeyQWHWNLTUXCISAF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.77
Rot. Bonds2

About 2-methyl-3,4-diphenylcyclobutan-1-one

2-methyl-3,4-diphenylcyclobutan-1-one (PubChem CID 12734579) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-3,4-diphenylcyclobutan-1-one.

Molecular Properties

Compound Name2-methyl-3,4-diphenylcyclobutan-1-one
PubChem CID12734579
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-methyl-3,4-diphenylcyclobutan-1-one
SMILESCC1C(=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H16O/c1-12-15(13-8-4-2-5-9-13)16(17(12)18)14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKeyQWHWNLTUXCISAF-UHFFFAOYSA-N
XLogP3.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-methyl-3-phenylcyclobutan-1-one
CID 81421315
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2-benzoyl-4-methyl-3-phenylcyclobutan-1-one
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(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
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CID 20689381
(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-diphenylcyclobutan-1-one?
The IUPAC name of 2-methyl-3,4-diphenylcyclobutan-1-one (CID 12734579) is 2-methyl-3,4-diphenylcyclobutan-1-one.
What is the SMILES notation for 2-methyl-3,4-diphenylcyclobutan-1-one?
The canonical SMILES for 2-methyl-3,4-diphenylcyclobutan-1-one is CC1C(=O)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 2-methyl-3,4-diphenylcyclobutan-1-one?
The InChIKey is QWHWNLTUXCISAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-12-15(13-8-4-2-5-9-13)16(17(12)18)14-10-6-3-7-11-14/h2-12,15-16H,1H3.
What are the key properties of 2-methyl-3,4-diphenylcyclobutan-1-one?
2-methyl-3,4-diphenylcyclobutan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-diphenylcyclobutan-1-one is sourced from PubChem (CID 12734579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).