2,3-dimethyl-3-phenylcyclobutan-1-one

C12H14O — CID 131076191

IUPAC2,3-dimethyl-3-phenylcyclobutan-1-one
SMILESCC1C(=O)CC1(C)c1ccccc1
InChIInChI=1S/C12H14O/c1-9-11(13)8-12(9,2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyAOGRIETVHXHHTI-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.55
Rot. Bonds1

About 2,3-dimethyl-3-phenylcyclobutan-1-one

2,3-dimethyl-3-phenylcyclobutan-1-one (PubChem CID 131076191) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,3-dimethyl-3-phenylcyclobutan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-3-phenylcyclobutan-1-one
PubChem CID131076191
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2,3-dimethyl-3-phenylcyclobutan-1-one
SMILESCC1C(=O)CC1(C)c1ccccc1
InChIInChI=1S/C12H14O/c1-9-11(13)8-12(9,2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyAOGRIETVHXHHTI-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(1R,4R,5S)-4,5-dimethyl-4-phenylbicyclo[3.1.0]hexan-2-one
CID 13026622
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
(4S)-3,4-dimethyl-4-phenylpiperidine
CID 69326944
(1R,4R,5R)-4-methyl-1-phenylbicyclo[3.1.0]hexan-3-one
CID 102073456
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione
CID 921939
5-methyl-5-phenylcyclohexane-1,3-dione
CID 21286276
(3R)-3-methyl-3-phenylcyclohexan-1-one
CID 11506594
5,6-dimethyl-5-phenylcyclohex-2-ene-1,4-dione
CID 174860981

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-phenylcyclobutan-1-one?
The IUPAC name of 2,3-dimethyl-3-phenylcyclobutan-1-one (CID 131076191) is 2,3-dimethyl-3-phenylcyclobutan-1-one.
What is the SMILES notation for 2,3-dimethyl-3-phenylcyclobutan-1-one?
The canonical SMILES for 2,3-dimethyl-3-phenylcyclobutan-1-one is CC1C(=O)CC1(C)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-3-phenylcyclobutan-1-one?
The InChIKey is AOGRIETVHXHHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-11(13)8-12(9,2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 2,3-dimethyl-3-phenylcyclobutan-1-one?
2,3-dimethyl-3-phenylcyclobutan-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-phenylcyclobutan-1-one is sourced from PubChem (CID 131076191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).