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

C11H10O3 — CID 14614729

IUPAC6-acetyl-3,4-dihydrochromen-2-one
SMILESCC(=O)c1ccc2c(c1)CCC(=O)O2
InChIInChI=1S/C11H10O3/c1-7(12)8-2-4-10-9(6-8)3-5-11(13)14-10/h2,4,6H,3,5H2,1H3
InChIKeyFKCFGIPTIUMBPX-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.74
Rot. Bonds1

About 6-acetyl-3,4-dihydrochromen-2-one

6-acetyl-3,4-dihydrochromen-2-one (PubChem CID 14614729) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-acetyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-acetyl-3,4-dihydrochromen-2-one
PubChem CID14614729
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name6-acetyl-3,4-dihydrochromen-2-one
SMILESCC(=O)c1ccc2c(c1)CCC(=O)O2
InChIInChI=1S/C11H10O3/c1-7(12)8-2-4-10-9(6-8)3-5-11(13)14-10/h2,4,6H,3,5H2,1H3
InChIKeyFKCFGIPTIUMBPX-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-acetyl-4,5-dihydro-1-benzoxepin-3-one
CID 11264169
benzene;(2-oxo-3,4-dihydrochromen-6-yl) acetate
CID 142101371
methyl 2-oxo-3,4-dihydrochromene-6-carboxylate;toluene
CID 142101373
8-(2-chloroacetyl)-3,4,5,6-tetrahydro-1-benzoxocin-2-one
CID 145166228
ethane;6-propan-2-yl-3,4-dihydrochromen-2-one
CID 154661810
(2-oxo-3,4-dihydrochromen-6-yl) 4-butoxybenzoate
CID 102080102
3,4,6,7-tetrahydropyrano[3,2-g]chromene-2,8-dione
CID 612770
1-(2-isocyano-3,4-dihydro-2H-chromen-6-yl)ethanone
CID 59035984
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
1-(7-aminodibenzo-p-dioxin-2-yl)ethanone
CID 159455740
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3,4-dihydrochromen-2-one?
The IUPAC name of 6-acetyl-3,4-dihydrochromen-2-one (CID 14614729) is 6-acetyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-acetyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-acetyl-3,4-dihydrochromen-2-one is CC(=O)c1ccc2c(c1)CCC(=O)O2.
What is the InChIKey of 6-acetyl-3,4-dihydrochromen-2-one?
The InChIKey is FKCFGIPTIUMBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7(12)8-2-4-10-9(6-8)3-5-11(13)14-10/h2,4,6H,3,5H2,1H3.
What are the key properties of 6-acetyl-3,4-dihydrochromen-2-one?
6-acetyl-3,4-dihydrochromen-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 14614729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).