methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate

C15H14O4 — CID 44613930

IUPACmethyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate
SMILESCOC(=O)c1cc(=O)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C15H14O4/c1-18-15(17)12-8-14(16)19-13-7-10-5-3-2-4-9(10)6-11(12)13/h6-8H,2-5H2,1H3
InChIKeyMQNUUTSWBZFJAY-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.46
Rot. Bonds1

About methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate

methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate (PubChem CID 44613930) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate
PubChem CID44613930
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namemethyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate
SMILESCOC(=O)c1cc(=O)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C15H14O4/c1-18-15(17)12-8-14(16)19-13-7-10-5-3-2-4-9(10)6-11(12)13/h6-8H,2-5H2,1H3
InChIKeyMQNUUTSWBZFJAY-UHFFFAOYSA-N
XLogP2.46
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate?
The IUPAC name of methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate (CID 44613930) is methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate?
The canonical SMILES for methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate is COC(=O)c1cc(=O)oc2cc3c(cc12)CCCC3.
What is the InChIKey of methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate?
The InChIKey is MQNUUTSWBZFJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-18-15(17)12-8-14(16)19-13-7-10-5-3-2-4-9(10)6-11(12)13/h6-8H,2-5H2,1H3.
What are the key properties of methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate?
methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate has a molecular weight of 258.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-6,7,8,9-tetrahydrobenzo[g]chromene-4-carboxylate is sourced from PubChem (CID 44613930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).