7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one

C18H14O6 — CID 78788494

IUPAC7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)c3ccc(O)cc3O)ccc12
InChIInChI=1S/C18H14O6/c1-10-6-18(22)24-17-8-12(3-5-13(10)17)23-9-16(21)14-4-2-11(19)7-15(14)20/h2-8,19-20H,9H2,1H3
InChIKeyGCJQJUGBHVSBBA-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.77
Rot. Bonds4

About 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one

7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one (PubChem CID 78788494) has the molecular formula C18H14O6 and a molecular weight of 326.30 g/mol. Its IUPAC name is 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
PubChem CID78788494
Molecular FormulaC18H14O6
Molecular Weight326.30 g/mol
Exact Mass326.08
IUPAC Name7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)c3ccc(O)cc3O)ccc12
InChIInChI=1S/C18H14O6/c1-10-6-18(22)24-17-8-12(3-5-13(10)17)23-9-16(21)14-4-2-11(19)7-15(14)20/h2-8,19-20H,9H2,1H3
InChIKeyGCJQJUGBHVSBBA-UHFFFAOYSA-N
XLogP2.77
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 7967883
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 882295
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
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one (CID 78788494) is 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OCC(=O)c3ccc(O)cc3O)ccc12.
What is the InChIKey of 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one?
The InChIKey is GCJQJUGBHVSBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O6/c1-10-6-18(22)24-17-8-12(3-5-13(10)17)23-9-16(21)14-4-2-11(19)7-15(14)20/h2-8,19-20H,9H2,1H3.
What are the key properties of 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one?
7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one has a molecular weight of 326.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one is sourced from PubChem (CID 78788494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).