2-bromo-4-chlorocyclohexa-1,3-dien-1-ol

C6H6BrClO — CID 23073603

IUPAC2-bromo-4-chlorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Br)C=C(Cl)CC1
InChIInChI=1S/C6H6BrClO/c7-5-3-4(8)1-2-6(5)9/h3,9H,1-2H2
InChIKeyWVZWTVBHCHWECB-UHFFFAOYSA-N
MW209.47 g/mol
LogP3.07
Rot. Bonds

About 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol

2-bromo-4-chlorocyclohexa-1,3-dien-1-ol (PubChem CID 23073603) has the molecular formula C6H6BrClO and a molecular weight of 209.47 g/mol. Its IUPAC name is 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-bromo-4-chlorocyclohexa-1,3-dien-1-ol
PubChem CID23073603
Molecular FormulaC6H6BrClO
Molecular Weight209.47 g/mol
Exact Mass207.93
IUPAC Name2-bromo-4-chlorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Br)C=C(Cl)CC1
InChIInChI=1S/C6H6BrClO/c7-5-3-4(8)1-2-6(5)9/h3,9H,1-2H2
InChIKeyWVZWTVBHCHWECB-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol (CID 23073603) is 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol is OC1=C(Br)C=C(Cl)CC1.
What is the InChIKey of 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol?
The InChIKey is WVZWTVBHCHWECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClO/c7-5-3-4(8)1-2-6(5)9/h3,9H,1-2H2.
What are the key properties of 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol?
2-bromo-4-chlorocyclohexa-1,3-dien-1-ol has a molecular weight of 209.47 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chlorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 23073603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).