(6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate

C23H18O6 — CID 55554307

IUPAC(6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate
SMILESCOc1ccc2cc(COC(=O)COc3ccc4ccc(=O)oc4c3)ccc2c1
InChIInChI=1S/C23H18O6/c1-26-19-7-5-17-10-15(2-3-18(17)11-19)13-28-23(25)14-27-20-8-4-16-6-9-22(24)29-21(16)12-20/h2-12H,13-14H2,1H3
InChIKeyOEFJVKRRZXHBCQ-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.08
Rot. Bonds6

About (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate

(6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate (PubChem CID 55554307) has the molecular formula C23H18O6 and a molecular weight of 390.39 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate
PubChem CID55554307
Molecular FormulaC23H18O6
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name(6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate
SMILESCOc1ccc2cc(COC(=O)COc3ccc4ccc(=O)oc4c3)ccc2c1
InChIInChI=1S/C23H18O6/c1-26-19-7-5-17-10-15(2-3-18(17)11-19)13-28-23(25)14-27-20-8-4-16-6-9-22(24)29-21(16)12-20/h2-12H,13-14H2,1H3
InChIKeyOEFJVKRRZXHBCQ-UHFFFAOYSA-N
XLogP4.08
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.08
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

ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
(7-methoxy-2-oxochromen-4-yl)methyl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4857472
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
[2-(3,5-difluoroanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 46808974
[2-(4-methylsulfanylanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55468723
6-(2-oxopropoxy)chromen-2-one
CID 58420964
2-[(2-oxochromen-7-yl)oxymethyl]prop-2-enoyl chloride
CID 167142962
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 42967196
(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7920974

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate?
The IUPAC name of (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate (CID 55554307) is (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate is COc1ccc2cc(COC(=O)COc3ccc4ccc(=O)oc4c3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate?
The InChIKey is OEFJVKRRZXHBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O6/c1-26-19-7-5-17-10-15(2-3-18(17)11-19)13-28-23(25)14-27-20-8-4-16-6-9-22(24)29-21(16)12-20/h2-12H,13-14H2,1H3.
What are the key properties of (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate?
(6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate has a molecular weight of 390.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 55554307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).