5-bromo-8-methyl-2,3-dihydrochromen-4-one

C10H9BrO2 — CID 103693810

IUPAC5-bromo-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc(Br)c2c1OCCC2=O
InChIInChI=1S/C10H9BrO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3H,4-5H2,1H3
InChIKeyVJKDHVYMQFFSKL-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.72
Rot. Bonds

About 5-bromo-8-methyl-2,3-dihydrochromen-4-one

5-bromo-8-methyl-2,3-dihydrochromen-4-one (PubChem CID 103693810) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 5-bromo-8-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-bromo-8-methyl-2,3-dihydrochromen-4-one
PubChem CID103693810
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name5-bromo-8-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc(Br)c2c1OCCC2=O
InChIInChI=1S/C10H9BrO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3H,4-5H2,1H3
InChIKeyVJKDHVYMQFFSKL-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-8-methyl-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

4-bromo-7-methyl-1-benzofuran-3-one
CID 107285253
5-fluoro-8-methyl-2,3-dihydrochromen-4-one
CID 55273706
8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
CID 43154972
3-(6,8-dimethyl-4-oxo-2,3-dihydrochromen-5-yl)-2-methylprop-2-enoic acid
CID 154342214
6-bromo-5-methyl-2,3-dihydropyrano[2,3-b]pyridin-4-one
CID 146310253
3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione
CID 54769974
1,5-dibromo-4,8-dimethylanthracene-9,10-dione
CID 158328255
9-bromo-2,2,3-trimethyl-7-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
CID 135067971
8-chloro-5-fluoro-2,3-dihydrochromen-4-one;hydrochloride
CID 127263941
5-bromo-6-methyl-2,3-dihydropyran-4-one
CID 10774061
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743
6-bromo-3,7,8,9-tetrahydro-2H-benzo[h][1,4]benzodioxin-10-one
CID 62730597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5-bromo-8-methyl-2,3-dihydrochromen-4-one (CID 103693810) is 5-bromo-8-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-bromo-8-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-bromo-8-methyl-2,3-dihydrochromen-4-one is Cc1ccc(Br)c2c1OCCC2=O.
What is the InChIKey of 5-bromo-8-methyl-2,3-dihydrochromen-4-one?
The InChIKey is VJKDHVYMQFFSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3H,4-5H2,1H3.
What are the key properties of 5-bromo-8-methyl-2,3-dihydrochromen-4-one?
5-bromo-8-methyl-2,3-dihydrochromen-4-one has a molecular weight of 241.08 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 103693810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).