4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one

C19H16O4 — CID 7859252

IUPAC4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one
SMILESCC(=O)c1ccccc1OCc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C19H16O4/c1-12-7-8-16-14(10-19(21)23-18(16)9-12)11-22-17-6-4-3-5-15(17)13(2)20/h3-10H,11H2,1-2H3
InChIKeyNXYWWFDTDMYKJZ-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.88
Rot. Bonds4

About 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one

4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one (PubChem CID 7859252) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one.

Molecular Properties

Compound Name4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one
PubChem CID7859252
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one
SMILESCC(=O)c1ccccc1OCc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C19H16O4/c1-12-7-8-16-14(10-19(21)23-18(16)9-12)11-22-17-6-4-3-5-15(17)13(2)20/h3-10H,11H2,1-2H3
InChIKeyNXYWWFDTDMYKJZ-UHFFFAOYSA-N
XLogP3.88
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.88
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

4-[(2-acetyl-4-chlorophenoxy)methyl]-7-methylchromen-2-one
CID 3491002
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4236785
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 7844520
7-methyl-4-(quinolin-8-yloxymethyl)chromen-2-one
CID 134693453
N-[4-[(7-methyl-2-oxochromen-4-yl)methoxy]phenyl]acetamide
CID 11738812
(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
CID 7524489
(7-methyl-2-oxochromen-4-yl)methyl 2-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]benzoate
CID 4690964
(7-methyl-2-oxochromen-4-yl)methyl 2,5-dimethylbenzoate
CID 2629840
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
4-[(2-acetyl-4-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 4998771
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-cyanophenoxy)acetate
CID 5172794
4-[(4-bromo-2-chlorophenoxy)methyl]-7-methylchromen-2-one
CID 3390826

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one?
The IUPAC name of 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one (CID 7859252) is 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one.
What is the SMILES notation for 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one?
The canonical SMILES for 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one is CC(=O)c1ccccc1OCc1cc(=O)oc2cc(C)ccc12.
What is the InChIKey of 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one?
The InChIKey is NXYWWFDTDMYKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-12-7-8-16-14(10-19(21)23-18(16)9-12)11-22-17-6-4-3-5-15(17)13(2)20/h3-10H,11H2,1-2H3.
What are the key properties of 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one?
4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one has a molecular weight of 308.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one is sourced from PubChem (CID 7859252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).