6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol

C8H11BrO — CID 21293799

IUPAC6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(C)(Br)C1O
InChIInChI=1S/C8H11BrO/c1-6-4-3-5-8(2,9)7(6)10/h3-5,7,10H,1-2H3
InChIKeyQWLAXNOIWBXFCL-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.02
Rot. Bonds

About 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol

6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 21293799) has the molecular formula C8H11BrO and a molecular weight of 203.08 g/mol. Its IUPAC name is 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID21293799
Molecular FormulaC8H11BrO
Molecular Weight203.08 g/mol
Exact Mass202.00
IUPAC Name6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC=CC(C)(Br)C1O
InChIInChI=1S/C8H11BrO/c1-6-4-3-5-8(2,9)7(6)10/h3-5,7,10H,1-2H3
InChIKeyQWLAXNOIWBXFCL-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,6,6-trimethylcyclohexa-2,4-diene-1-carbaldehyde
CID 10103330
CID 101108904
CID 101108904
5-bromo-6-hydroxy-5-methoxycyclohexa-1,3-diene-1-carbaldehyde
CID 151704148
1-amino-5,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70634940
4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CID 566734
phosphoroso-(2,6,6-trimethylcyclohexa-2,4-dien-1-yl)methanone
CID 175825539
1,5-dimethyl-6-nitrocyclohexa-2,4-dien-1-ol
CID 175278219
1,6-ditert-butyl-5-methylcyclohexa-2,4-dien-1-ol
CID 141200854
5,6-diethyl-1,5-dimethylcyclohexa-1,3-diene
CID 173469802
6-chloro-1,5-dimethylcyclohexa-2,4-dien-1-ol;1,2-xylene
CID 174712067
2-bromo-1,2-dimethylcyclohexa-3,5-diene-1,3-diol
CID 154208861
6-ethyl-2,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 175274217

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol (CID 21293799) is 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC=CC(C)(Br)C1O.
What is the InChIKey of 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is QWLAXNOIWBXFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO/c1-6-4-3-5-8(2,9)7(6)10/h3-5,7,10H,1-2H3.
What are the key properties of 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol?
6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 203.08 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 21293799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).