6-bromocyclohexa-2,4-dien-1-ol

C6H7BrO — CID 139242843

IUPAC6-bromocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1Br
InChIInChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h1-6,8H
InChIKeyWUGPKBMZIRYBPH-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.24
Rot. Bonds

About 6-bromocyclohexa-2,4-dien-1-ol

6-bromocyclohexa-2,4-dien-1-ol (PubChem CID 139242843) has the molecular formula C6H7BrO and a molecular weight of 175.03 g/mol. Its IUPAC name is 6-bromocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-bromocyclohexa-2,4-dien-1-ol
PubChem CID139242843
Molecular FormulaC6H7BrO
Molecular Weight175.03 g/mol
Exact Mass173.97
IUPAC Name6-bromocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1Br
InChIInChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h1-6,8H
InChIKeyWUGPKBMZIRYBPH-UHFFFAOYSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-bromocyclohexa-2,4-dien-1-ol (CID 139242843) is 6-bromocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-bromocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-bromocyclohexa-2,4-dien-1-ol is OC1C=CC=CC1Br.
What is the InChIKey of 6-bromocyclohexa-2,4-dien-1-ol?
The InChIKey is WUGPKBMZIRYBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h1-6,8H.
What are the key properties of 6-bromocyclohexa-2,4-dien-1-ol?
6-bromocyclohexa-2,4-dien-1-ol has a molecular weight of 175.03 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 139242843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).