(6,8-dibromo-2H-chromen-3-yl)methanol

C10H8Br2O2 — CID 103351442

IUPAC(6,8-dibromo-2H-chromen-3-yl)methanol
SMILESOCC1=Cc2cc(Br)cc(Br)c2OC1
InChIInChI=1S/C10H8Br2O2/c11-8-2-7-1-6(4-13)5-14-10(7)9(12)3-8/h1-3,13H,4-5H2
InChIKeyCTIHOXFFRXLOCL-UHFFFAOYSA-N
MW319.98 g/mol
LogP2.98
Rot. Bonds1

About (6,8-dibromo-2H-chromen-3-yl)methanol

(6,8-dibromo-2H-chromen-3-yl)methanol (PubChem CID 103351442) has the molecular formula C10H8Br2O2 and a molecular weight of 319.98 g/mol. Its IUPAC name is (6,8-dibromo-2H-chromen-3-yl)methanol.

Molecular Properties

Compound Name(6,8-dibromo-2H-chromen-3-yl)methanol
PubChem CID103351442
Molecular FormulaC10H8Br2O2
Molecular Weight319.98 g/mol
Exact Mass317.89
IUPAC Name(6,8-dibromo-2H-chromen-3-yl)methanol
SMILESOCC1=Cc2cc(Br)cc(Br)c2OC1
InChIInChI=1S/C10H8Br2O2/c11-8-2-7-1-6(4-13)5-14-10(7)9(12)3-8/h1-3,13H,4-5H2
InChIKeyCTIHOXFFRXLOCL-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.98
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6,8-dibromo-2H-chromen-3-yl)methanol 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 (6,8-dibromo-2H-chromen-3-yl)methanol?
The IUPAC name of (6,8-dibromo-2H-chromen-3-yl)methanol (CID 103351442) is (6,8-dibromo-2H-chromen-3-yl)methanol.
What is the SMILES notation for (6,8-dibromo-2H-chromen-3-yl)methanol?
The canonical SMILES for (6,8-dibromo-2H-chromen-3-yl)methanol is OCC1=Cc2cc(Br)cc(Br)c2OC1.
What is the InChIKey of (6,8-dibromo-2H-chromen-3-yl)methanol?
The InChIKey is CTIHOXFFRXLOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2O2/c11-8-2-7-1-6(4-13)5-14-10(7)9(12)3-8/h1-3,13H,4-5H2.
What are the key properties of (6,8-dibromo-2H-chromen-3-yl)methanol?
(6,8-dibromo-2H-chromen-3-yl)methanol has a molecular weight of 319.98 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dibromo-2H-chromen-3-yl)methanol is sourced from PubChem (CID 103351442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).