6-(6-bromoazulen-2-yl)azulen-2-ol

C20H13BrO — CID 21063101

IUPAC6-(6-bromoazulen-2-yl)azulen-2-ol
SMILESOc1cc2ccc(-c3cc4ccc(Br)ccc-4c3)ccc-2c1
InChIInChI=1S/C20H13BrO/c21-19-7-5-14-9-18(10-15(14)6-8-19)13-1-3-16-11-20(22)12-17(16)4-2-13/h1-12,22H
InChIKeyZJUGYJPOXKBPSZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP6.03
Rot. Bonds1

About 6-(6-bromoazulen-2-yl)azulen-2-ol

6-(6-bromoazulen-2-yl)azulen-2-ol (PubChem CID 21063101) has the molecular formula C20H13BrO and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-(6-bromoazulen-2-yl)azulen-2-ol.

Molecular Properties

Compound Name6-(6-bromoazulen-2-yl)azulen-2-ol
PubChem CID21063101
Molecular FormulaC20H13BrO
Molecular Weight349.23 g/mol
Exact Mass348.01
IUPAC Name6-(6-bromoazulen-2-yl)azulen-2-ol
SMILESOc1cc2ccc(-c3cc4ccc(Br)ccc-4c3)ccc-2c1
InChIInChI=1S/C20H13BrO/c21-19-7-5-14-9-18(10-15(14)6-8-19)13-1-3-16-11-20(22)12-17(16)4-2-13/h1-12,22H
InChIKeyZJUGYJPOXKBPSZ-UHFFFAOYSA-N
XLogP6.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(6-bromoazulen-2-yl)azulen-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

6-Bromoazulen-2-ol
CID 21063108
6-(1,3-Dimethylazulen-2-yl)-1,3-dimethylazulen-2-ol
CID 21063090
6-(2-Hydroxyazulen-6-yl)azulen-2-ol
CID 21063093
6-Bromo-1,3-dimethylazulen-2-ol
CID 21063104
6-Bromo-1,3-dimethylazulen-2-ol;phosphoryl trichloride
CID 91454854
6-Bromo-1,3-dimethylazulen-2-ol;chloro(trimethyl)silane
CID 91603716
11-Bromotricyclo[8.4.1.02,7]pentadeca-1(14),2,4,6,8,10,12-heptaen-14-ol
CID 132195611
Acetic acid--6-bromoazulen-2-ol (1/1)
CID 71342868

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromoazulen-2-yl)azulen-2-ol?
The IUPAC name of 6-(6-bromoazulen-2-yl)azulen-2-ol (CID 21063101) is 6-(6-bromoazulen-2-yl)azulen-2-ol.
What is the SMILES notation for 6-(6-bromoazulen-2-yl)azulen-2-ol?
The canonical SMILES for 6-(6-bromoazulen-2-yl)azulen-2-ol is Oc1cc2ccc(-c3cc4ccc(Br)ccc-4c3)ccc-2c1.
What is the InChIKey of 6-(6-bromoazulen-2-yl)azulen-2-ol?
The InChIKey is ZJUGYJPOXKBPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO/c21-19-7-5-14-9-18(10-15(14)6-8-19)13-1-3-16-11-20(22)12-17(16)4-2-13/h1-12,22H.
What are the key properties of 6-(6-bromoazulen-2-yl)azulen-2-ol?
6-(6-bromoazulen-2-yl)azulen-2-ol has a molecular weight of 349.23 g/mol, XLogP of 6.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromoazulen-2-yl)azulen-2-ol is sourced from PubChem (CID 21063101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).