methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate

C16H12O5 — CID 10755460

IUPACmethyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1c(OC)c2ccccc2c2oc(=O)ccc12
InChIInChI=1S/C16H12O5/c1-19-15-10-6-4-3-5-9(10)14-11(7-8-12(17)21-14)13(15)16(18)20-2/h3-8H,1-2H3
InChIKeyMXXZXKQHHMHAFY-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.74
Rot. Bonds2

About methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate

methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate (PubChem CID 10755460) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate
PubChem CID10755460
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Namemethyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate
SMILESCOC(=O)c1c(OC)c2ccccc2c2oc(=O)ccc12
InChIInChI=1S/C16H12O5/c1-19-15-10-6-4-3-5-9(10)14-11(7-8-12(17)21-14)13(15)16(18)20-2/h3-8H,1-2H3
InChIKeyMXXZXKQHHMHAFY-UHFFFAOYSA-N
XLogP2.74
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate?
The IUPAC name of methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate (CID 10755460) is methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate is COC(=O)c1c(OC)c2ccccc2c2oc(=O)ccc12.
What is the InChIKey of methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate?
The InChIKey is MXXZXKQHHMHAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c1-19-15-10-6-4-3-5-9(10)14-11(7-8-12(17)21-14)13(15)16(18)20-2/h3-8H,1-2H3.
What are the key properties of methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate?
methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-oxobenzo[h]chromene-5-carboxylate is sourced from PubChem (CID 10755460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).