5,6-dichlorocyclohexa-1,5-dien-1-ol

C6H6Cl2O — CID 21443528

IUPAC5,6-dichlorocyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC(Cl)=C1Cl
InChIInChI=1S/C6H6Cl2O/c7-4-2-1-3-5(9)6(4)8/h3,9H,1-2H2
InChIKeyWRMNFUKCQOSUHH-UHFFFAOYSA-N
MW165.02 g/mol
LogP2.91
Rot. Bonds

About 5,6-dichlorocyclohexa-1,5-dien-1-ol

5,6-dichlorocyclohexa-1,5-dien-1-ol (PubChem CID 21443528) has the molecular formula C6H6Cl2O and a molecular weight of 165.02 g/mol. Its IUPAC name is 5,6-dichlorocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5,6-dichlorocyclohexa-1,5-dien-1-ol
PubChem CID21443528
Molecular FormulaC6H6Cl2O
Molecular Weight165.02 g/mol
Exact Mass163.98
IUPAC Name5,6-dichlorocyclohexa-1,5-dien-1-ol
SMILESOC1=CCCC(Cl)=C1Cl
InChIInChI=1S/C6H6Cl2O/c7-4-2-1-3-5(9)6(4)8/h3,9H,1-2H2
InChIKeyWRMNFUKCQOSUHH-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichlorocyclohexa-1,5-dien-1-ol?
The IUPAC name of 5,6-dichlorocyclohexa-1,5-dien-1-ol (CID 21443528) is 5,6-dichlorocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5,6-dichlorocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5,6-dichlorocyclohexa-1,5-dien-1-ol is OC1=CCCC(Cl)=C1Cl.
What is the InChIKey of 5,6-dichlorocyclohexa-1,5-dien-1-ol?
The InChIKey is WRMNFUKCQOSUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2O/c7-4-2-1-3-5(9)6(4)8/h3,9H,1-2H2.
What are the key properties of 5,6-dichlorocyclohexa-1,5-dien-1-ol?
5,6-dichlorocyclohexa-1,5-dien-1-ol has a molecular weight of 165.02 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichlorocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 21443528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).