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

C6H7BrO — CID 121481010

IUPAC2-bromocyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1Br
InChIInChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h1-3,6,8H,4H2
InChIKeyVKQFUQJMKGYYPJ-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.59
Rot. Bonds

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

2-bromocyclohexa-2,4-dien-1-ol (PubChem CID 121481010) has the molecular formula C6H7BrO and a molecular weight of 175.03 g/mol. Its IUPAC name is 2-bromocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-bromocyclohexa-2,4-dien-1-ol
PubChem CID121481010
Molecular FormulaC6H7BrO
Molecular Weight175.03 g/mol
Exact Mass173.97
IUPAC Name2-bromocyclohexa-2,4-dien-1-ol
SMILESOC1CC=CC=C1Br
InChIInChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h1-3,6,8H,4H2
InChIKeyVKQFUQJMKGYYPJ-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromocyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-bromocyclohexa-2,4-dien-1-ol (CID 121481010) is 2-bromocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-bromocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-bromocyclohexa-2,4-dien-1-ol is OC1CC=CC=C1Br.
What is the InChIKey of 2-bromocyclohexa-2,4-dien-1-ol?
The InChIKey is VKQFUQJMKGYYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h1-3,6,8H,4H2.
What are the key properties of 2-bromocyclohexa-2,4-dien-1-ol?
2-bromocyclohexa-2,4-dien-1-ol has a molecular weight of 175.03 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 121481010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).