4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one

C22H16O4 — CID 882295

IUPAC4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc12
InChIInChI=1S/C22H16O4/c1-14-10-22(24)26-21-12-18(8-9-19(14)21)25-13-20(23)17-7-6-15-4-2-3-5-16(15)11-17/h2-12H,13H2,1H3
InChIKeyPSCXANHRBPFFDD-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.52
Rot. Bonds4

About 4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one

4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one (PubChem CID 882295) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
PubChem CID882295
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc12
InChIInChI=1S/C22H16O4/c1-14-10-22(24)26-21-12-18(8-9-19(14)21)25-13-20(23)17-7-6-15-4-2-3-5-16(15)11-17/h2-12H,13H2,1H3
InChIKeyPSCXANHRBPFFDD-UHFFFAOYSA-N
XLogP4.52
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.52
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

7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
(3S)-3-methyl-5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroindol-2-one
CID 9078864
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844242
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
(4-acetylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7741120
7-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethoxy]-4-methylchromen-2-one
CID 55372297
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 78788494
(2-naphthalen-2-yl-2-oxoethyl) 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 2649504
7-[2-(2,4-dimethoxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 7967883

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
The IUPAC name of 4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one (CID 882295) is 4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one.
What is the SMILES notation for 4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
The canonical SMILES for 4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one is Cc1cc(=O)oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc12.
What is the InChIKey of 4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
The InChIKey is PSCXANHRBPFFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-14-10-22(24)26-21-12-18(8-9-19(14)21)25-13-20(23)17-7-6-15-4-2-3-5-16(15)11-17/h2-12H,13H2,1H3.
What are the key properties of 4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one?
4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one has a molecular weight of 344.37 g/mol, XLogP of 4.52, 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-naphthalen-2-yl-2-oxoethoxy)chromen-2-one is sourced from PubChem (CID 882295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).