7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one

C16H13BrO2 — CID 114673081

IUPAC7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccccc1C1CC(=O)c2ccc(Br)cc2O1
InChIInChI=1S/C16H13BrO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-7-6-11(17)8-15(13)19-16/h2-8,16H,9H2,1H3
InChIKeyILUQXRWCASUQFA-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.46
Rot. Bonds1

About 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one

7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 114673081) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
PubChem CID114673081
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccccc1C1CC(=O)c2ccc(Br)cc2O1
InChIInChI=1S/C16H13BrO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-7-6-11(17)8-15(13)19-16/h2-8,16H,9H2,1H3
InChIKeyILUQXRWCASUQFA-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-2-(2,6-dimethylphenyl)-2,3-dihydrochromen-4-one
CID 114673148
6-fluoro-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114671977
2-(2-fluoro-3-methylphenyl)-2,3-dihydrochromen-4-one
CID 91411003
7-bromo-2-(2,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673069
7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673233
6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 58424087
7-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114673396
2-(2,3-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672549
7-bromo-2-(4-ethylphenyl)-2,3-dihydrochromen-4-one
CID 114673270
2-(4-bromo-2-chlorophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672447
(2R)-7-hydroxy-2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 57484831
7-bromo-2-thiophen-3-yl-2,3-dihydrochromen-4-one
CID 114673268

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one (CID 114673081) is 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one is Cc1ccccc1C1CC(=O)c2ccc(Br)cc2O1.
What is the InChIKey of 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is ILUQXRWCASUQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c1-10-4-2-3-5-12(10)16-9-14(18)13-7-6-11(17)8-15(13)19-16/h2-8,16H,9H2,1H3.
What are the key properties of 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one?
7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 317.18 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114673081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).