7-bromo-6-methoxy-2,3-dihydrochromen-4-one

C10H9BrO3 — CID 84708948

IUPAC7-bromo-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1Br)OCCC2=O
InChIInChI=1S/C10H9BrO3/c1-13-10-4-6-8(12)2-3-14-9(6)5-7(10)11/h4-5H,2-3H2,1H3
InChIKeyJPHTVRRNMKSQLA-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.42
Rot. Bonds1

About 7-bromo-6-methoxy-2,3-dihydrochromen-4-one

7-bromo-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 84708948) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 7-bromo-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-bromo-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID84708948
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name7-bromo-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1Br)OCCC2=O
InChIInChI=1S/C10H9BrO3/c1-13-10-4-6-8(12)2-3-14-9(6)5-7(10)11/h4-5H,2-3H2,1H3
InChIKeyJPHTVRRNMKSQLA-UHFFFAOYSA-N
XLogP2.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-6-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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 7-bromo-6-methoxy-2,3-dihydrochromen-4-one (CID 84708948) is 7-bromo-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-bromo-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-bromo-6-methoxy-2,3-dihydrochromen-4-one is COc1cc2c(cc1Br)OCCC2=O.
What is the InChIKey of 7-bromo-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is JPHTVRRNMKSQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c1-13-10-4-6-8(12)2-3-14-9(6)5-7(10)11/h4-5H,2-3H2,1H3.
What are the key properties of 7-bromo-6-methoxy-2,3-dihydrochromen-4-one?
7-bromo-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 257.08 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 84708948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).