(2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate

C15H14O5 — CID 100948123

IUPAC(2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate
SMILESCC(=O)OC1(C)Cc2c(c3ccc(C)cc3oc2=O)O1
InChIInChI=1S/C15H14O5/c1-8-4-5-10-12(6-8)18-14(17)11-7-15(3,19-9(2)16)20-13(10)11/h4-6H,7H2,1-3H3
InChIKeyJXUBECQYTUBQGA-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.32
Rot. Bonds1

About (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate

(2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate (PubChem CID 100948123) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate.

Molecular Properties

Compound Name(2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate
PubChem CID100948123
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate
SMILESCC(=O)OC1(C)Cc2c(c3ccc(C)cc3oc2=O)O1
InChIInChI=1S/C15H14O5/c1-8-4-5-10-12(6-8)18-14(17)11-7-15(3,19-9(2)16)20-13(10)11/h4-6H,7H2,1-3H3
InChIKeyJXUBECQYTUBQGA-UHFFFAOYSA-N
XLogP2.32
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
CID 764192
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
(7-methyldibenzofuran-1-yl) acetate
CID 69395963
7-[2-(4-methylphenyl)-2-oxoethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 777549
(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one
CID 139068634
(2,5-dimethyl-1,3-dihydroinden-2-yl) acetate
CID 157223751
3,3,7-trimethyl-2,4-dihydrodibenzofuran-1-one
CID 134372965
(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl) acetate
CID 70637977
8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one
CID 167621734
7-[2-hydroxyimino-2-(4-methylphenyl)ethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 905615
7-[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 6323816
3-(7-methyl-4-oxochromen-2-yl)benzoic acid
CID 82043714

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate?
The IUPAC name of (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate (CID 100948123) is (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate.
What is the SMILES notation for (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate?
The canonical SMILES for (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate is CC(=O)OC1(C)Cc2c(c3ccc(C)cc3oc2=O)O1.
What is the InChIKey of (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate?
The InChIKey is JXUBECQYTUBQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-8-4-5-10-12(6-8)18-14(17)11-7-15(3,19-9(2)16)20-13(10)11/h4-6H,7H2,1-3H3.
What are the key properties of (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate?
(2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate has a molecular weight of 274.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-4-oxo-3H-furo[3,2-c]chromen-2-yl) acetate is sourced from PubChem (CID 100948123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).