2-bromocyclohexa-1,3-dien-1-ol

C6H7BrO — CID 51655223

IUPAC2-bromocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Br)C=CCC1
InChIInChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h1,3,8H,2,4H2
InChIKeyKRCUMVVDVIQPCB-UHFFFAOYSA-N
MW175.03 g/mol
LogP2.50
Rot. Bonds

About 2-bromocyclohexa-1,3-dien-1-ol

2-bromocyclohexa-1,3-dien-1-ol (PubChem CID 51655223) has the molecular formula C6H7BrO and a molecular weight of 175.03 g/mol. Its IUPAC name is 2-bromocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-bromocyclohexa-1,3-dien-1-ol
PubChem CID51655223
Molecular FormulaC6H7BrO
Molecular Weight175.03 g/mol
Exact Mass173.97
IUPAC Name2-bromocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Br)C=CCC1
InChIInChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h1,3,8H,2,4H2
InChIKeyKRCUMVVDVIQPCB-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromocyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-bromocyclohexa-1,3-dien-1-ol (CID 51655223) is 2-bromocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-bromocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-bromocyclohexa-1,3-dien-1-ol is OC1=C(Br)C=CCC1.
What is the InChIKey of 2-bromocyclohexa-1,3-dien-1-ol?
The InChIKey is KRCUMVVDVIQPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO/c7-5-3-1-2-4-6(5)8/h1,3,8H,2,4H2.
What are the key properties of 2-bromocyclohexa-1,3-dien-1-ol?
2-bromocyclohexa-1,3-dien-1-ol has a molecular weight of 175.03 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 51655223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).