3-[(2-bromophenyl)methoxy]chromen-2-one

C16H11BrO3 — CID 11484334

IUPAC3-[(2-bromophenyl)methoxy]chromen-2-one
SMILESO=c1oc2ccccc2cc1OCc1ccccc1Br
InChIInChI=1S/C16H11BrO3/c17-13-7-3-1-6-12(13)10-19-15-9-11-5-2-4-8-14(11)20-16(15)18/h1-9H,10H2
InChIKeyFQLPTEYOIZVXDR-UHFFFAOYSA-N
MW331.16 g/mol
LogP4.13
Rot. Bonds3

About 3-[(2-bromophenyl)methoxy]chromen-2-one

3-[(2-bromophenyl)methoxy]chromen-2-one (PubChem CID 11484334) has the molecular formula C16H11BrO3 and a molecular weight of 331.16 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methoxy]chromen-2-one
PubChem CID11484334
Molecular FormulaC16H11BrO3
Molecular Weight331.16 g/mol
Exact Mass329.99
IUPAC Name3-[(2-bromophenyl)methoxy]chromen-2-one
SMILESO=c1oc2ccccc2cc1OCc1ccccc1Br
InChIInChI=1S/C16H11BrO3/c17-13-7-3-1-6-12(13)10-19-15-9-11-5-2-4-8-14(11)20-16(15)18/h1-9H,10H2
InChIKeyFQLPTEYOIZVXDR-UHFFFAOYSA-N
XLogP4.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-bromophenyl)methoxy]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
3-(2,2-diiodoethoxy)chromen-2-one
CID 54237497
3-(2-chloroethoxy)chromen-2-one
CID 141445941
3-(1-bromopropan-2-yloxy)chromen-2-one
CID 141445966
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
5-[(2-bromophenyl)methoxy]-4,7-dimethylchromen-2-one
CID 2196697
3-[2-(4-fluorophenyl)-2-oxoethoxy]chromen-2-one
CID 127042745
3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
CID 71508422
2-(2-oxochromen-3-yl)acetyl bromide
CID 166175025
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
3-(hydroxymethyl)chromen-2-one
CID 22921481
2-[(2-bromophenyl)methoxy]aniline
CID 11208190

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methoxy]chromen-2-one?
The IUPAC name of 3-[(2-bromophenyl)methoxy]chromen-2-one (CID 11484334) is 3-[(2-bromophenyl)methoxy]chromen-2-one.
What is the SMILES notation for 3-[(2-bromophenyl)methoxy]chromen-2-one?
The canonical SMILES for 3-[(2-bromophenyl)methoxy]chromen-2-one is O=c1oc2ccccc2cc1OCc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methoxy]chromen-2-one?
The InChIKey is FQLPTEYOIZVXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO3/c17-13-7-3-1-6-12(13)10-19-15-9-11-5-2-4-8-14(11)20-16(15)18/h1-9H,10H2.
What are the key properties of 3-[(2-bromophenyl)methoxy]chromen-2-one?
3-[(2-bromophenyl)methoxy]chromen-2-one has a molecular weight of 331.16 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methoxy]chromen-2-one is sourced from PubChem (CID 11484334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).