8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one

C17H11BrO3 — CID 10545292

IUPAC8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
SMILESCc1cc(=O)oc2cc3oc4cc(CBr)ccc4c3cc12
InChIInChI=1S/C17H11BrO3/c1-9-4-17(19)21-15-7-16-13(6-12(9)15)11-3-2-10(8-18)5-14(11)20-16/h2-7H,8H2,1H3
InChIKeyWOJDKYZTQBQYPM-UHFFFAOYSA-N
MW343.18 g/mol
LogP4.90
Rot. Bonds1

About 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one

8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one (PubChem CID 10545292) has the molecular formula C17H11BrO3 and a molecular weight of 343.18 g/mol. Its IUPAC name is 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one.

Molecular Properties

Compound Name8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
PubChem CID10545292
Molecular FormulaC17H11BrO3
Molecular Weight343.18 g/mol
Exact Mass341.99
IUPAC Name8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one
SMILESCc1cc(=O)oc2cc3oc4cc(CBr)ccc4c3cc12
InChIInChI=1S/C17H11BrO3/c1-9-4-17(19)21-15-7-16-13(6-12(9)15)11-3-2-10(8-18)5-14(11)20-16/h2-7H,8H2,1H3
InChIKeyWOJDKYZTQBQYPM-UHFFFAOYSA-N
XLogP4.90
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,8-dimethyl-[1]benzofuro[3,2-g]chromen-2-one
CID 125486556
7-ethyl-4-methylchromen-2-one
CID 5160585
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
2-bromo-3,5-dimethylfuro[3,2-g]chromen-7-one
CID 46197759
7-(4,4-dihydroxybutyl)-4-methylchromen-2-one
CID 156779613
7-(bromomethyl)chromen-2-one;7-methylchromen-2-one
CID 160730215
CID 89064299
CID 89064299
4-methyl-7-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]chromen-2-one
CID 56718124
4-methyl-7-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]chromen-2-one
CID 56722047
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
N-methyl-3-[methyl-[(4-methyl-2-oxochromen-7-yl)methyl]amino]butanamide
CID 56709335
3-(4-bromophenyl)-5-methylfuro[3,2-g]chromen-7-one
CID 1325577

Frequently Asked Questions

What is the IUPAC name of 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one?
The IUPAC name of 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one (CID 10545292) is 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one.
What is the SMILES notation for 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one?
The canonical SMILES for 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one is Cc1cc(=O)oc2cc3oc4cc(CBr)ccc4c3cc12.
What is the InChIKey of 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one?
The InChIKey is WOJDKYZTQBQYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrO3/c1-9-4-17(19)21-15-7-16-13(6-12(9)15)11-3-2-10(8-18)5-14(11)20-16/h2-7H,8H2,1H3.
What are the key properties of 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one?
8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one has a molecular weight of 343.18 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(bromomethyl)-4-methyl-[1]benzofuro[3,2-g]chromen-2-one is sourced from PubChem (CID 10545292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).