8-methoxy-1,2-dihydrobenzo[f]chromen-3-one

C14H12O3 — CID 19921912

IUPAC8-methoxy-1,2-dihydrobenzo[f]chromen-3-one
SMILESCOc1ccc2c3c(ccc2c1)OC(=O)CC3
InChIInChI=1S/C14H12O3/c1-16-10-3-4-11-9(8-10)2-6-13-12(11)5-7-14(15)17-13/h2-4,6,8H,5,7H2,1H3
InChIKeyMITIQHFJBPZMLG-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.70
Rot. Bonds1

About 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one

8-methoxy-1,2-dihydrobenzo[f]chromen-3-one (PubChem CID 19921912) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name8-methoxy-1,2-dihydrobenzo[f]chromen-3-one
PubChem CID19921912
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name8-methoxy-1,2-dihydrobenzo[f]chromen-3-one
SMILESCOc1ccc2c3c(ccc2c1)OC(=O)CC3
InChIInChI=1S/C14H12O3/c1-16-10-3-4-11-9(8-10)2-6-13-12(11)5-7-14(15)17-13/h2-4,6,8H,5,7H2,1H3
InChIKeyMITIQHFJBPZMLG-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one?
The IUPAC name of 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one (CID 19921912) is 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one.
What is the SMILES notation for 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one?
The canonical SMILES for 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one is COc1ccc2c3c(ccc2c1)OC(=O)CC3.
What is the InChIKey of 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one?
The InChIKey is MITIQHFJBPZMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-16-10-3-4-11-9(8-10)2-6-13-12(11)5-7-14(15)17-13/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one?
8-methoxy-1,2-dihydrobenzo[f]chromen-3-one has a molecular weight of 228.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2-dihydrobenzo[f]chromen-3-one is sourced from PubChem (CID 19921912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).