2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

C18H15BrO4 — CID 10619458

IUPAC2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2c(CBr)oc3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C18H15BrO4/c1-21-12-5-3-11(4-6-12)17-16(10-19)23-15-9-13(22-2)7-8-14(15)18(17)20/h3-9H,10H2,1-2H3
InChIKeyCBBQKRNCNLOWQM-UHFFFAOYSA-N
MW375.22 g/mol
LogP4.37
Rot. Bonds4

About 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one

2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 10619458) has the molecular formula C18H15BrO4 and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID10619458
Molecular FormulaC18H15BrO4
Molecular Weight375.22 g/mol
Exact Mass374.02
IUPAC Name2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2c(CBr)oc3cc(OC)ccc3c2=O)cc1
InChIInChI=1S/C18H15BrO4/c1-21-12-5-3-11(4-6-12)17-16(10-19)23-15-9-13(22-2)7-8-14(15)18(17)20/h3-9H,10H2,1-2H3
InChIKeyCBBQKRNCNLOWQM-UHFFFAOYSA-N
XLogP4.37
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
2-benzyl-6-methoxy-3-(4-methoxyphenyl)-1-benzofuran
CID 154708443
3-(4-bromobutoxy)-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171061266
7-methoxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 746442
2-amino-3-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 70689704
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one
CID 118609362
4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
CID 139845956
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
4-[3-(4-fluorophenyl)-7-methoxy-4-oxochromen-2-yl]benzenesulfonamide
CID 18324892
9-bromo-3,7-dimethoxy-[1]benzofuro[3,2-b]chromen-11-one
CID 11440255

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one (CID 10619458) is 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2c(CBr)oc3cc(OC)ccc3c2=O)cc1.
What is the InChIKey of 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is CBBQKRNCNLOWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO4/c1-21-12-5-3-11(4-6-12)17-16(10-19)23-15-9-13(22-2)7-8-14(15)18(17)20/h3-9H,10H2,1-2H3.
What are the key properties of 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one?
2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 375.22 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-methoxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 10619458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).