7-bromo-3,4-dihydro-2H-chromen-5-ol

C9H9BrO2 — CID 23532364

IUPAC7-bromo-3,4-dihydro-2H-chromen-5-ol
SMILESOc1cc(Br)cc2c1CCCO2
InChIInChI=1S/C9H9BrO2/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h4-5,11H,1-3H2
InChIKeySBEUSOSYUGLXQG-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.48
Rot. Bonds

About 7-bromo-3,4-dihydro-2H-chromen-5-ol

7-bromo-3,4-dihydro-2H-chromen-5-ol (PubChem CID 23532364) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 7-bromo-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name7-bromo-3,4-dihydro-2H-chromen-5-ol
PubChem CID23532364
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name7-bromo-3,4-dihydro-2H-chromen-5-ol
SMILESOc1cc(Br)cc2c1CCCO2
InChIInChI=1S/C9H9BrO2/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h4-5,11H,1-3H2
InChIKeySBEUSOSYUGLXQG-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-3,4-dihydro-2H-chromen-5-ol 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-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of 7-bromo-3,4-dihydro-2H-chromen-5-ol (CID 23532364) is 7-bromo-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for 7-bromo-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for 7-bromo-3,4-dihydro-2H-chromen-5-ol is Oc1cc(Br)cc2c1CCCO2.
What is the InChIKey of 7-bromo-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is SBEUSOSYUGLXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-6-4-8(11)7-2-1-3-12-9(7)5-6/h4-5,11H,1-3H2.
What are the key properties of 7-bromo-3,4-dihydro-2H-chromen-5-ol?
7-bromo-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 229.07 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 23532364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).