7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C14H14O3 — CID 2888491

IUPAC7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCOc1ccc2c3c(c(=O)oc2c1C)CCC3
InChIInChI=1S/C14H14O3/c1-8-12(16-2)7-6-10-9-4-3-5-11(9)14(15)17-13(8)10/h6-7H,3-5H2,1-2H3
InChIKeyYGXDFJQPDFEATJ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.60
Rot. Bonds1

About 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 2888491) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID2888491
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCOc1ccc2c3c(c(=O)oc2c1C)CCC3
InChIInChI=1S/C14H14O3/c1-8-12(16-2)7-6-10-9-4-3-5-11(9)14(15)17-13(8)10/h6-7H,3-5H2,1-2H3
InChIKeyYGXDFJQPDFEATJ-UHFFFAOYSA-N
XLogP2.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 2888491) is 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is COc1ccc2c3c(c(=O)oc2c1C)CCC3.
What is the InChIKey of 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is YGXDFJQPDFEATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8-12(16-2)7-6-10-9-4-3-5-11(9)14(15)17-13(8)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 230.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 2888491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).