methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate

C19H16O6 — CID 121297931

IUPACmethyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc(OCc3cccc(OC)c3)cc2oc1=O
InChIInChI=1S/C19H16O6/c1-22-14-5-3-4-12(8-14)11-24-15-7-6-13-9-16(18(20)23-2)19(21)25-17(13)10-15/h3-10H,11H2,1-2H3
InChIKeyOQCZCPFYTBNKNK-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.17
Rot. Bonds5

About methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate

methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate (PubChem CID 121297931) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate
PubChem CID121297931
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Namemethyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc2ccc(OCc3cccc(OC)c3)cc2oc1=O
InChIInChI=1S/C19H16O6/c1-22-14-5-3-4-12(8-14)11-24-15-7-6-13-9-16(18(20)23-2)19(21)25-17(13)10-15/h3-10H,11H2,1-2H3
InChIKeyOQCZCPFYTBNKNK-UHFFFAOYSA-N
XLogP3.17
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.17
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

methyl 2-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]chromene-3-carboxylate
CID 86343169
4-hydroxy-6-[6-[(3-methoxyphenyl)methoxy]-1-benzofuran-2-yl]-3,5-dimethylpyran-2-one
CID 54728020
methyl 3-[(3-cyano-2-oxochromen-7-yl)oxymethyl]benzoate
CID 66545871
7-methoxy-2-oxo-N'-(2-phenylacetyl)chromene-3-carbohydrazide
CID 5262581
2-hydroxyethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 11651849
methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 3-methoxybenzoate
CID 19185467
prop-2-ynyl 7-methoxy-2-oxochromene-3-carboxylate
CID 170900330
ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate
CID 19204595
methyl 7-methyl-2-oxochromene-3-carboxylate
CID 142114128
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate?
The IUPAC name of methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate (CID 121297931) is methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate.
What is the SMILES notation for methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate?
The canonical SMILES for methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate is COC(=O)c1cc2ccc(OCc3cccc(OC)c3)cc2oc1=O.
What is the InChIKey of methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate?
The InChIKey is OQCZCPFYTBNKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-22-14-5-3-4-12(8-14)11-24-15-7-6-13-9-16(18(20)23-2)19(21)25-17(13)10-15/h3-10H,11H2,1-2H3.
What are the key properties of methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate?
methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate has a molecular weight of 340.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate is sourced from PubChem (CID 121297931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).