(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate

C19H14O7 — CID 19207230

IUPAC(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)cc1
InChIInChI=1S/C19H14O7/c1-23-14-7-8-16-12(9-14)10-15(19(22)26-16)18(21)25-13-5-3-11(4-6-13)17(20)24-2/h3-10H,1-2H3
InChIKeySFUDLZRPBVQYGE-UHFFFAOYSA-N
MW354.31 g/mol
LogP2.81
Rot. Bonds4

About (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate

(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate (PubChem CID 19207230) has the molecular formula C19H14O7 and a molecular weight of 354.31 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
PubChem CID19207230
Molecular FormulaC19H14O7
Molecular Weight354.31 g/mol
Exact Mass354.07
IUPAC Name(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)cc1
InChIInChI=1S/C19H14O7/c1-23-14-7-8-16-12(9-14)10-15(19(22)26-16)18(21)25-13-5-3-11(4-6-13)17(20)24-2/h3-10H,1-2H3
InChIKeySFUDLZRPBVQYGE-UHFFFAOYSA-N
XLogP2.81
TPSA92.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(6-carbamimidoylnaphthalen-2-yl) 6-methoxy-2-oxochromene-3-carboxylate
CID 177371478
(2,6-dimethylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 19207203
(2-chlorophenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 2990698
[3-[4-(1-methoxyethenyl)phenoxy]carbonyl-2-oxochromen-6-yl]methylazanide
CID 163670495
3-(4-bromobenzoyl)-6-methoxychromen-2-one
CID 141458884
(4-propanoylphenyl) 6-chloro-2-oxochromene-3-carboxylate
CID 19132487
propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 19207105
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152
N-[[amino-(6-methoxy-2-oxochromen-3-yl)methylidene]amino]pyridin-1-ium-4-carboxamide
CID 135485328
methyl 4-[(E)-3-(6-hydroxy-2-oxochromen-3-yl)-3-oxoprop-1-enyl]benzoate
CID 72707590

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate (CID 19207230) is (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate is COC(=O)c1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate?
The InChIKey is SFUDLZRPBVQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O7/c1-23-14-7-8-16-12(9-14)10-15(19(22)26-16)18(21)25-13-5-3-11(4-6-13)17(20)24-2/h3-10H,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate?
(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate has a molecular weight of 354.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 19207230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).