2-methyl-2-(3-methylphenyl)cyclobutan-1-one

C12H14O — CID 86070267

IUPAC2-methyl-2-(3-methylphenyl)cyclobutan-1-one
SMILESCc1cccc(C2(C)CCC2=O)c1
InChIInChI=1S/C12H14O/c1-9-4-3-5-10(8-9)12(2)7-6-11(12)13/h3-5,8H,6-7H2,1-2H3
InChIKeyHZIONOVFINFZRX-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.62
Rot. Bonds1

About 2-methyl-2-(3-methylphenyl)cyclobutan-1-one

2-methyl-2-(3-methylphenyl)cyclobutan-1-one (PubChem CID 86070267) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methyl-2-(3-methylphenyl)cyclobutan-1-one.

Molecular Properties

Compound Name2-methyl-2-(3-methylphenyl)cyclobutan-1-one
PubChem CID86070267
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-methyl-2-(3-methylphenyl)cyclobutan-1-one
SMILESCc1cccc(C2(C)CCC2=O)c1
InChIInChI=1S/C12H14O/c1-9-4-3-5-10(8-9)12(2)7-6-11(12)13/h3-5,8H,6-7H2,1-2H3
InChIKeyHZIONOVFINFZRX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-5-(3-methylphenyl)oxolan-2-one
CID 10679234
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CID 59990618
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
4,4-bis(3-methylphenyl)cyclohex-2-en-1-one
CID 54188104
(2R)-N-hydroxy-2-[3-methyl-3-(3-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54345830
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylphenyl)cyclobutan-1-one?
The IUPAC name of 2-methyl-2-(3-methylphenyl)cyclobutan-1-one (CID 86070267) is 2-methyl-2-(3-methylphenyl)cyclobutan-1-one.
What is the SMILES notation for 2-methyl-2-(3-methylphenyl)cyclobutan-1-one?
The canonical SMILES for 2-methyl-2-(3-methylphenyl)cyclobutan-1-one is Cc1cccc(C2(C)CCC2=O)c1.
What is the InChIKey of 2-methyl-2-(3-methylphenyl)cyclobutan-1-one?
The InChIKey is HZIONOVFINFZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-4-3-5-10(8-9)12(2)7-6-11(12)13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-methyl-2-(3-methylphenyl)cyclobutan-1-one?
2-methyl-2-(3-methylphenyl)cyclobutan-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylphenyl)cyclobutan-1-one is sourced from PubChem (CID 86070267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).