2,3,4-trichlorocyclohexa-1,3-dien-1-ol

C6H5Cl3O — CID 171714602

IUPAC2,3,4-trichlorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Cl)C(Cl)=C(Cl)CC1
InChIInChI=1S/C6H5Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h10H,1-2H2
InChIKeyQUOXRLZDYDITEZ-UHFFFAOYSA-N
MW199.46 g/mol
LogP3.48
Rot. Bonds

About 2,3,4-trichlorocyclohexa-1,3-dien-1-ol

2,3,4-trichlorocyclohexa-1,3-dien-1-ol (PubChem CID 171714602) has the molecular formula C6H5Cl3O and a molecular weight of 199.46 g/mol. Its IUPAC name is 2,3,4-trichlorocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2,3,4-trichlorocyclohexa-1,3-dien-1-ol
PubChem CID171714602
Molecular FormulaC6H5Cl3O
Molecular Weight199.46 g/mol
Exact Mass197.94
IUPAC Name2,3,4-trichlorocyclohexa-1,3-dien-1-ol
SMILESOC1=C(Cl)C(Cl)=C(Cl)CC1
InChIInChI=1S/C6H5Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h10H,1-2H2
InChIKeyQUOXRLZDYDITEZ-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichlorocyclohexa-1,3-dien-1-ol?
The IUPAC name of 2,3,4-trichlorocyclohexa-1,3-dien-1-ol (CID 171714602) is 2,3,4-trichlorocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2,3,4-trichlorocyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2,3,4-trichlorocyclohexa-1,3-dien-1-ol is OC1=C(Cl)C(Cl)=C(Cl)CC1.
What is the InChIKey of 2,3,4-trichlorocyclohexa-1,3-dien-1-ol?
The InChIKey is QUOXRLZDYDITEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h10H,1-2H2.
What are the key properties of 2,3,4-trichlorocyclohexa-1,3-dien-1-ol?
2,3,4-trichlorocyclohexa-1,3-dien-1-ol has a molecular weight of 199.46 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichlorocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 171714602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).