2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one

C16H13BrO3 — CID 114673979

IUPAC2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1cccc(Br)c1)O2
InChIInChI=1S/C16H13BrO3/c1-19-12-5-6-15-13(8-12)14(18)9-16(20-15)10-3-2-4-11(17)7-10/h2-8,16H,9H2,1H3
InChIKeyLOCKFENTVJWASM-UHFFFAOYSA-N
MW333.18 g/mol
LogP4.16
Rot. Bonds2

About 2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one

2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 114673979) has the molecular formula C16H13BrO3 and a molecular weight of 333.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID114673979
Molecular FormulaC16H13BrO3
Molecular Weight333.18 g/mol
Exact Mass332.00
IUPAC Name2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1cccc(Br)c1)O2
InChIInChI=1S/C16H13BrO3/c1-19-12-5-6-15-13(8-12)14(18)9-16(20-15)10-3-2-4-11(17)7-10/h2-8,16H,9H2,1H3
InChIKeyLOCKFENTVJWASM-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

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Related Compounds

2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-(4-bromo-2-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673847
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2917176
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(2,6-dichlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673789
6-methoxy-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674030
2-(2,3-difluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673920
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
CID 114283242
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674234

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one (CID 114673979) is 2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)CC(c1cccc(Br)c1)O2.
What is the InChIKey of 2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is LOCKFENTVJWASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO3/c1-19-12-5-6-15-13(8-12)14(18)9-16(20-15)10-3-2-4-11(17)7-10/h2-8,16H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
2-(3-bromophenyl)-6-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)-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114673979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).