5-methyl-5-(3-methylphenyl)oxolan-2-one

C12H14O2 — CID 10679234

IUPAC5-methyl-5-(3-methylphenyl)oxolan-2-one
SMILESCc1cccc(C2(C)CCC(=O)O2)c1
InChIInChI=1S/C12H14O2/c1-9-4-3-5-10(8-9)12(2)7-6-11(13)14-12/h3-5,8H,6-7H2,1-2H3
InChIKeyIMYRQYNBSVTHTL-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.55
Rot. Bonds1

About 5-methyl-5-(3-methylphenyl)oxolan-2-one

5-methyl-5-(3-methylphenyl)oxolan-2-one (PubChem CID 10679234) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-methyl-5-(3-methylphenyl)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-5-(3-methylphenyl)oxolan-2-one
PubChem CID10679234
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name5-methyl-5-(3-methylphenyl)oxolan-2-one
SMILESCc1cccc(C2(C)CCC(=O)O2)c1
InChIInChI=1S/C12H14O2/c1-9-4-3-5-10(8-9)12(2)7-6-11(13)14-12/h3-5,8H,6-7H2,1-2H3
InChIKeyIMYRQYNBSVTHTL-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(3-methylphenyl)cyclobutan-1-one
CID 86070267
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
5-(2,3-dihydro-1H-inden-5-yl)-5-methyloxolan-2-one
CID 82113766
(6S)-6-methyl-6-(3-methylphenyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
CID 68726892
5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one
CID 163063625
(6R)-6-methyl-6-phenyloxan-2-one
CID 100971522
6-methyl-6-(3-methylphenyl)morpholin-3-one
CID 117159206
1-methyl-3-[1-(3-methylphenyl)cyclohexyl]benzene
CID 19798314
4,4-bis(3-methylphenyl)cyclohex-2-en-1-one
CID 54188104
2-methyl-2-(3-methylphenyl)morpholine;hydrochloride
CID 121230111
(4R)-4-(iodomethyl)-4-(3-methylphenyl)-1,3-dioxan-2-one
CID 122380107
5-(2,5-difluorophenyl)-5-methyloxolan-2-one
CID 82113386

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-methylphenyl)oxolan-2-one?
The IUPAC name of 5-methyl-5-(3-methylphenyl)oxolan-2-one (CID 10679234) is 5-methyl-5-(3-methylphenyl)oxolan-2-one.
What is the SMILES notation for 5-methyl-5-(3-methylphenyl)oxolan-2-one?
The canonical SMILES for 5-methyl-5-(3-methylphenyl)oxolan-2-one is Cc1cccc(C2(C)CCC(=O)O2)c1.
What is the InChIKey of 5-methyl-5-(3-methylphenyl)oxolan-2-one?
The InChIKey is IMYRQYNBSVTHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-4-3-5-10(8-9)12(2)7-6-11(13)14-12/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 5-methyl-5-(3-methylphenyl)oxolan-2-one?
5-methyl-5-(3-methylphenyl)oxolan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-methylphenyl)oxolan-2-one is sourced from PubChem (CID 10679234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).