2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one

C16H13BrO3 — CID 114672505

IUPAC2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1cccc(Br)c1)CC2=O
InChIInChI=1S/C16H13BrO3/c1-19-12-5-6-13-14(18)9-15(20-16(13)8-12)10-3-2-4-11(17)7-10/h2-8,15H,9H2,1H3
InChIKeyNQCUSJORIVBDQF-UHFFFAOYSA-N
MW333.18 g/mol
LogP4.16
Rot. Bonds2

About 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one

2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 114672505) has the molecular formula C16H13BrO3 and a molecular weight of 333.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID114672505
Molecular FormulaC16H13BrO3
Molecular Weight333.18 g/mol
Exact Mass332.00
IUPAC Name2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)OC(c1cccc(Br)c1)CC2=O
InChIInChI=1S/C16H13BrO3/c1-19-12-5-6-13-14(18)9-15(20-16(13)8-12)10-3-2-4-11(17)7-10/h2-8,15H,9H2,1H3
InChIKeyNQCUSJORIVBDQF-UHFFFAOYSA-N
XLogP4.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-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

2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672447
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
2-(4,5-dibromothiophen-2-yl)-7-methoxy-2,3-dihydrochromen-4-one
CID 102846041
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672632
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one (CID 114672505) is 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)OC(c1cccc(Br)c1)CC2=O.
What is the InChIKey of 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is NQCUSJORIVBDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO3/c1-19-12-5-6-13-14(18)9-15(20-16(13)8-12)10-3-2-4-11(17)7-10/h2-8,15H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one?
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 333.18 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).