3-acetyl-3,4-dihydrochromen-2-one

C11H10O3 — CID 15418519

IUPAC3-acetyl-3,4-dihydrochromen-2-one
SMILESCC(=O)C1Cc2ccccc2OC1=O
InChIInChI=1S/C11H10O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-5,9H,6H2,1H3
InChIKeyDOWADYLBSIKPDT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.35
Rot. Bonds1

About 3-acetyl-3,4-dihydrochromen-2-one

3-acetyl-3,4-dihydrochromen-2-one (PubChem CID 15418519) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-acetyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-acetyl-3,4-dihydrochromen-2-one
PubChem CID15418519
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name3-acetyl-3,4-dihydrochromen-2-one
SMILESCC(=O)C1Cc2ccccc2OC1=O
InChIInChI=1S/C11H10O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-5,9H,6H2,1H3
InChIKeyDOWADYLBSIKPDT-UHFFFAOYSA-N
XLogP1.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-(2-oxo-3,4-dihydrochromene-3-carbonyl)benzeneamine oxide
CID 21141176
1-[(9R)-9,10-dihydrophenanthren-9-yl]ethanone
CID 102253511
3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydrochromen-2-one
CID 162711473
3-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 69198622
(3R)-3-(methoxymethyl)-3,4-dihydrochromen-2-one
CID 14941867
3-benzoyl-6-phenyl-3,4-dihydrochromen-2-one
CID 58459923
1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993
3-[4-(methylamino)phenyl]-3,4-dihydrochromen-2-one
CID 160784007
1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-oxo-3,4-dihydrochromene-3-carbonyl)amino]thiourea
CID 155019185
6-chloro-2-oxo-3,4-dihydrochromene-3-carboxylic acid
CID 175653078
3-(nitromethyl)-3,4-dihydrochromen-2-one
CID 101202113
(2S,3R)-3-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 163392607

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-3,4-dihydrochromen-2-one?
The IUPAC name of 3-acetyl-3,4-dihydrochromen-2-one (CID 15418519) is 3-acetyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-acetyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-acetyl-3,4-dihydrochromen-2-one is CC(=O)C1Cc2ccccc2OC1=O.
What is the InChIKey of 3-acetyl-3,4-dihydrochromen-2-one?
The InChIKey is DOWADYLBSIKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-5,9H,6H2,1H3.
What are the key properties of 3-acetyl-3,4-dihydrochromen-2-one?
3-acetyl-3,4-dihydrochromen-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 15418519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).