5-methylidene-4-(4-methylphenyl)oxolan-2-one

C12H12O2 — CID 14416057

IUPAC5-methylidene-4-(4-methylphenyl)oxolan-2-one
SMILESC=C1OC(=O)CC1c1ccc(C)cc1
InChIInChI=1S/C12H12O2/c1-8-3-5-10(6-4-8)11-7-12(13)14-9(11)2/h3-6,11H,2,7H2,1H3
InChIKeyLCXFIMSMUIBSLA-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.54
Rot. Bonds1

About 5-methylidene-4-(4-methylphenyl)oxolan-2-one

5-methylidene-4-(4-methylphenyl)oxolan-2-one (PubChem CID 14416057) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-methylidene-4-(4-methylphenyl)oxolan-2-one.

Molecular Properties

Compound Name5-methylidene-4-(4-methylphenyl)oxolan-2-one
PubChem CID14416057
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name5-methylidene-4-(4-methylphenyl)oxolan-2-one
SMILESC=C1OC(=O)CC1c1ccc(C)cc1
InChIInChI=1S/C12H12O2/c1-8-3-5-10(6-4-8)11-7-12(13)14-9(11)2/h3-6,11H,2,7H2,1H3
InChIKeyLCXFIMSMUIBSLA-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
4-[4-[4-(2-methylidene-6-oxooxan-4-yl)phenyl]phenyl]oxane-2,6-dione
CID 58472036
3-(3-methylphenyl)oxolane-2,5-dione
CID 71683747
7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
CID 102427491
3-(2,4,6-trimethylphenyl)oxolane-2,5-dione
CID 82158604
(4R)-2-hydroxy-3-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one
CID 102344411
5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918
1-methyl-6-methylidene-5-(4-methylphenyl)piperidin-2-one
CID 176944263
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
(3S)-3-(4-cyclopentylphenyl)oxolane-2,5-dione
CID 124547014
1-methyl-4-(2-methylidenecyclopentyl)benzene
CID 166116595
3-(4-bromo-3-methylphenyl)oxolane-2,5-dione
CID 82487779

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-(4-methylphenyl)oxolan-2-one?
The IUPAC name of 5-methylidene-4-(4-methylphenyl)oxolan-2-one (CID 14416057) is 5-methylidene-4-(4-methylphenyl)oxolan-2-one.
What is the SMILES notation for 5-methylidene-4-(4-methylphenyl)oxolan-2-one?
The canonical SMILES for 5-methylidene-4-(4-methylphenyl)oxolan-2-one is C=C1OC(=O)CC1c1ccc(C)cc1.
What is the InChIKey of 5-methylidene-4-(4-methylphenyl)oxolan-2-one?
The InChIKey is LCXFIMSMUIBSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-8-3-5-10(6-4-8)11-7-12(13)14-9(11)2/h3-6,11H,2,7H2,1H3.
What are the key properties of 5-methylidene-4-(4-methylphenyl)oxolan-2-one?
5-methylidene-4-(4-methylphenyl)oxolan-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-(4-methylphenyl)oxolan-2-one is sourced from PubChem (CID 14416057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).