2-ethenyl-3-methyl-2,3-dihydrochromen-4-one

C12H12O2 — CID 11008672

IUPAC2-ethenyl-3-methyl-2,3-dihydrochromen-4-one
SMILESC=CC1Oc2ccccc2C(=O)C1C
InChIInChI=1S/C12H12O2/c1-3-10-8(2)12(13)9-6-4-5-7-11(9)14-10/h3-8,10H,1H2,2H3
InChIKeyCDZLZFIUHZTHFC-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.45
Rot. Bonds1

About 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one

2-ethenyl-3-methyl-2,3-dihydrochromen-4-one (PubChem CID 11008672) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-ethenyl-3-methyl-2,3-dihydrochromen-4-one
PubChem CID11008672
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-ethenyl-3-methyl-2,3-dihydrochromen-4-one
SMILESC=CC1Oc2ccccc2C(=O)C1C
InChIInChI=1S/C12H12O2/c1-3-10-8(2)12(13)9-6-4-5-7-11(9)14-10/h3-8,10H,1H2,2H3
InChIKeyCDZLZFIUHZTHFC-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-ethenyl-3-phenyl-2,3-dihydrochromen-4-one
CID 15043727
(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
CID 7177147
(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
CID 10777318
(2S,3R)-3-bromo-2-methyl-2,3-dihydrochromen-4-one
CID 15266075
methyl 3-methyl-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 135026819
(3S,4S)-4-ethenyl-3-methyloxetan-2-one
CID 102065202
(3S)-3-prop-2-enyl-2,3-dihydrochromen-4-one
CID 177402596
3-benzoyl-2-methyl-2,3-dihydrochromen-4-one
CID 3420665
methyl 2-methyl-4-oxo-2,3-dihydrochromene-3-carboxylate
CID 14887955
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
2-(2-methoxyethyl)-1-benzofuran-3-one
CID 155166560

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one (CID 11008672) is 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one is C=CC1Oc2ccccc2C(=O)C1C.
What is the InChIKey of 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one?
The InChIKey is CDZLZFIUHZTHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-3-10-8(2)12(13)9-6-4-5-7-11(9)14-10/h3-8,10H,1H2,2H3.
What are the key properties of 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one?
2-ethenyl-3-methyl-2,3-dihydrochromen-4-one has a molecular weight of 188.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11008672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).