(2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate

C23H16O6 — CID 991777

IUPAC(2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1ccc2oc(=O)c(C(=O)OCC(=O)c3cccc4ccccc34)cc2c1
InChIInChI=1S/C23H16O6/c1-27-16-9-10-21-15(11-16)12-19(23(26)29-21)22(25)28-13-20(24)18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3
InChIKeyUWGBEXWPZAUBRE-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.99
Rot. Bonds5

About (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate

(2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate (PubChem CID 991777) has the molecular formula C23H16O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate
PubChem CID991777
Molecular FormulaC23H16O6
Molecular Weight388.38 g/mol
Exact Mass388.09
IUPAC Name(2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate
SMILESCOc1ccc2oc(=O)c(C(=O)OCC(=O)c3cccc4ccccc34)cc2c1
InChIInChI=1S/C23H16O6/c1-27-16-9-10-21-15(11-16)12-19(23(26)29-21)22(25)28-13-20(24)18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3
InChIKeyUWGBEXWPZAUBRE-UHFFFAOYSA-N
XLogP3.99
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3949815
(2,6-dimethylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 19207203
[2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785630
(2-naphthalen-1-yl-2-oxoethyl) 6,8-dichloro-2-oxochromene-3-carboxylate
CID 4913017
[2-(4-methoxyphenyl)-2-oxoethyl] 6-nitro-2-oxochromene-3-carboxylate
CID 16645467
(2-chlorophenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 2990698
(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 19207230
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
2-[(6-methoxy-2-oxochromene-3-carbonyl)-methylamino]benzoic acid
CID 21235325
2-hydroxyethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 11651849
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate?
The IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate (CID 991777) is (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate?
The canonical SMILES for (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate is COc1ccc2oc(=O)c(C(=O)OCC(=O)c3cccc4ccccc34)cc2c1.
What is the InChIKey of (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate?
The InChIKey is UWGBEXWPZAUBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O6/c1-27-16-9-10-21-15(11-16)12-19(23(26)29-21)22(25)28-13-20(24)18-8-4-6-14-5-2-3-7-17(14)18/h2-12H,13H2,1H3.
What are the key properties of (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate?
(2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate has a molecular weight of 388.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-yl-2-oxoethyl) 6-methoxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 991777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).