6-bromoazulen-2-ol

C10H7BrO — CID 21063108

IUPAC6-bromoazulen-2-ol
SMILESOc1cc2ccc(Br)ccc-2c1
InChIInChI=1S/C10H7BrO/c11-9-3-1-7-5-10(12)6-8(7)2-4-9/h1-6,12H
InChIKeyDLWUANGLIKOWGU-UHFFFAOYSA-N
MW223.07 g/mol
LogP3.26
Rot. Bonds

About 6-bromoazulen-2-ol

6-bromoazulen-2-ol (PubChem CID 21063108) has the molecular formula C10H7BrO and a molecular weight of 223.07 g/mol. Its IUPAC name is 6-bromoazulen-2-ol.

Molecular Properties

Compound Name6-bromoazulen-2-ol
PubChem CID21063108
Molecular FormulaC10H7BrO
Molecular Weight223.07 g/mol
Exact Mass221.97
IUPAC Name6-bromoazulen-2-ol
SMILESOc1cc2ccc(Br)ccc-2c1
InChIInChI=1S/C10H7BrO/c11-9-3-1-7-5-10(12)6-8(7)2-4-9/h1-6,12H
InChIKeyDLWUANGLIKOWGU-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-bromoazulen-2-ol 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

2-Hydroxyazulene
CID 11788361
Azulenalkohol
CID 14446361
Azulen-4-ol
CID 22376724
1-Hydroxy-methylazulene
CID 85785826
1h-Cycloprop[e]azulen-7-ol
CID 129761261
3,8-Dimethylazulen-4-ol
CID 11557365
6-Octylazulen-2-ol
CID 11817720
Azulen-6-ol
CID 12858519
Azulen-5-ol
CID 18941432
1,3-Dimethylazulen-2-ol
CID 21063074
6-(6-Bromoazulen-2-yl)azulen-2-ol
CID 21063101
6-Bromo-1,3-dimethylazulen-2-ol
CID 21063104

Frequently Asked Questions

What is the IUPAC name of 6-bromoazulen-2-ol?
The IUPAC name of 6-bromoazulen-2-ol (CID 21063108) is 6-bromoazulen-2-ol.
What is the SMILES notation for 6-bromoazulen-2-ol?
The canonical SMILES for 6-bromoazulen-2-ol is Oc1cc2ccc(Br)ccc-2c1.
What is the InChIKey of 6-bromoazulen-2-ol?
The InChIKey is DLWUANGLIKOWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO/c11-9-3-1-7-5-10(12)6-8(7)2-4-9/h1-6,12H.
What are the key properties of 6-bromoazulen-2-ol?
6-bromoazulen-2-ol has a molecular weight of 223.07 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoazulen-2-ol is sourced from PubChem (CID 21063108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).