6-acetyl-7-methoxy-4-methylchromen-2-one

C13H12O4 — CID 15290605

IUPAC6-acetyl-7-methoxy-4-methylchromen-2-one
SMILESCOc1cc2oc(=O)cc(C)c2cc1C(C)=O
InChIInChI=1S/C13H12O4/c1-7-4-13(15)17-12-6-11(16-3)10(8(2)14)5-9(7)12/h4-6H,1-3H3
InChIKeyVUCNMTJKOVQQAK-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.31
Rot. Bonds2

About 6-acetyl-7-methoxy-4-methylchromen-2-one

6-acetyl-7-methoxy-4-methylchromen-2-one (PubChem CID 15290605) has the molecular formula C13H12O4 and a molecular weight of 232.23 g/mol. Its IUPAC name is 6-acetyl-7-methoxy-4-methylchromen-2-one.

Molecular Properties

Compound Name6-acetyl-7-methoxy-4-methylchromen-2-one
PubChem CID15290605
Molecular FormulaC13H12O4
Molecular Weight232.23 g/mol
Exact Mass232.07
IUPAC Name6-acetyl-7-methoxy-4-methylchromen-2-one
SMILESCOc1cc2oc(=O)cc(C)c2cc1C(C)=O
InChIInChI=1S/C13H12O4/c1-7-4-13(15)17-12-6-11(16-3)10(8(2)14)5-9(7)12/h4-6H,1-3H3
InChIKeyVUCNMTJKOVQQAK-UHFFFAOYSA-N
XLogP2.31
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653
6-acetyl-7-[2-[di(propan-2-yl)amino]ethoxy]-4-methylchromen-2-one;hydrochloride
CID 53304679
6-[hydroxy(oxido)amino]-7-methoxy-4-methylchromen-2-one
CID 21140803
6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride
CID 53304985
N-(2-acetylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 42581163
(4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfate
CID 13963
7-methoxy-4-methyl-6-phenylchromen-2-one
CID 102307411
6-acetyl-4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one
CID 53304518
6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one
CID 20526547
7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 7967883
(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 55380662
5-methoxy-4-methylchromen-2-one
CID 11286956

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-7-methoxy-4-methylchromen-2-one?
The IUPAC name of 6-acetyl-7-methoxy-4-methylchromen-2-one (CID 15290605) is 6-acetyl-7-methoxy-4-methylchromen-2-one.
What is the SMILES notation for 6-acetyl-7-methoxy-4-methylchromen-2-one?
The canonical SMILES for 6-acetyl-7-methoxy-4-methylchromen-2-one is COc1cc2oc(=O)cc(C)c2cc1C(C)=O.
What is the InChIKey of 6-acetyl-7-methoxy-4-methylchromen-2-one?
The InChIKey is VUCNMTJKOVQQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-7-4-13(15)17-12-6-11(16-3)10(8(2)14)5-9(7)12/h4-6H,1-3H3.
What are the key properties of 6-acetyl-7-methoxy-4-methylchromen-2-one?
6-acetyl-7-methoxy-4-methylchromen-2-one has a molecular weight of 232.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-7-methoxy-4-methylchromen-2-one is sourced from PubChem (CID 15290605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).