4-methyl-7-(2-oxobutoxy)chromen-2-one

C14H14O4 — CID 62038518

IUPAC4-methyl-7-(2-oxobutoxy)chromen-2-one
SMILESCCC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C14H14O4/c1-3-10(15)8-17-11-4-5-12-9(2)6-14(16)18-13(12)7-11/h4-7H,3,8H2,1-2H3
InChIKeyUWBDUQKQZPRWRV-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.46
Rot. Bonds4

About 4-methyl-7-(2-oxobutoxy)chromen-2-one

4-methyl-7-(2-oxobutoxy)chromen-2-one (PubChem CID 62038518) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-methyl-7-(2-oxobutoxy)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(2-oxobutoxy)chromen-2-one
PubChem CID62038518
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name4-methyl-7-(2-oxobutoxy)chromen-2-one
SMILESCCC(=O)COc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C14H14O4/c1-3-10(15)8-17-11-4-5-12-9(2)6-14(16)18-13(12)7-11/h4-7H,3,8H2,1-2H3
InChIKeyUWBDUQKQZPRWRV-UHFFFAOYSA-N
XLogP2.46
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-7-(2-oxobutoxy)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
(4-acetylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7741120
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-propylurea
CID 7996338
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(2-oxobutoxy)chromen-2-one?
The IUPAC name of 4-methyl-7-(2-oxobutoxy)chromen-2-one (CID 62038518) is 4-methyl-7-(2-oxobutoxy)chromen-2-one.
What is the SMILES notation for 4-methyl-7-(2-oxobutoxy)chromen-2-one?
The canonical SMILES for 4-methyl-7-(2-oxobutoxy)chromen-2-one is CCC(=O)COc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 4-methyl-7-(2-oxobutoxy)chromen-2-one?
The InChIKey is UWBDUQKQZPRWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-3-10(15)8-17-11-4-5-12-9(2)6-14(16)18-13(12)7-11/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-methyl-7-(2-oxobutoxy)chromen-2-one?
4-methyl-7-(2-oxobutoxy)chromen-2-one has a molecular weight of 246.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2-oxobutoxy)chromen-2-one is sourced from PubChem (CID 62038518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).