6-bromo-1,3-dimethylazulen-2-ol

C12H11BrO — CID 21063104

IUPAC6-bromo-1,3-dimethylazulen-2-ol
SMILESCc1c2ccc(Br)ccc-2c(C)c1O
InChIInChI=1S/C12H11BrO/c1-7-10-5-3-9(13)4-6-11(10)8(2)12(7)14/h3-6,14H,1-2H3
InChIKeyKUNBDTAHQDJTBS-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.88
Rot. Bonds

About 6-bromo-1,3-dimethylazulen-2-ol

6-bromo-1,3-dimethylazulen-2-ol (PubChem CID 21063104) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 6-bromo-1,3-dimethylazulen-2-ol.

Molecular Properties

Compound Name6-bromo-1,3-dimethylazulen-2-ol
PubChem CID21063104
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name6-bromo-1,3-dimethylazulen-2-ol
SMILESCc1c2ccc(Br)ccc-2c(C)c1O
InChIInChI=1S/C12H11BrO/c1-7-10-5-3-9(13)4-6-11(10)8(2)12(7)14/h3-6,14H,1-2H3
InChIKeyKUNBDTAHQDJTBS-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hydroxyazulene
CID 11788361
Azulenalkohol
CID 14446361
7-Isopropyl-1,4-dimethyl-2-azulenol
CID 611841
6-Bromoazulen-2-ol
CID 21063108
Azulen-4-ol
CID 22376724
1-Hydroxy-methylazulene
CID 85785826
3,8-Dimethylazulen-4-ol
CID 11557365
6-Octylazulen-2-ol
CID 11817720
1,5-Dihydroxy-4,6,8-trimethylazulene
CID 101618055
Azulen-6-ol
CID 12858519
Azulen-5-ol
CID 18941432
1,3-Dimethylazulen-2-ol
CID 21063074

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethylazulen-2-ol?
The IUPAC name of 6-bromo-1,3-dimethylazulen-2-ol (CID 21063104) is 6-bromo-1,3-dimethylazulen-2-ol.
What is the SMILES notation for 6-bromo-1,3-dimethylazulen-2-ol?
The canonical SMILES for 6-bromo-1,3-dimethylazulen-2-ol is Cc1c2ccc(Br)ccc-2c(C)c1O.
What is the InChIKey of 6-bromo-1,3-dimethylazulen-2-ol?
The InChIKey is KUNBDTAHQDJTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-7-10-5-3-9(13)4-6-11(10)8(2)12(7)14/h3-6,14H,1-2H3.
What are the key properties of 6-bromo-1,3-dimethylazulen-2-ol?
6-bromo-1,3-dimethylazulen-2-ol has a molecular weight of 251.12 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethylazulen-2-ol is sourced from PubChem (CID 21063104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).