1,3,5-trichlorocyclohexa-2,4-dien-1-ol

C6H5Cl3O — CID 18947730

IUPAC1,3,5-trichlorocyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C=C(Cl)C=C(Cl)C1
InChIInChI=1S/C6H5Cl3O/c7-4-1-5(8)3-6(9,10)2-4/h1-2,10H,3H2
InChIKeyZCLNQBJWUCMGGS-UHFFFAOYSA-N
MW199.46 g/mol
LogP2.56
Rot. Bonds

About 1,3,5-trichlorocyclohexa-2,4-dien-1-ol

1,3,5-trichlorocyclohexa-2,4-dien-1-ol (PubChem CID 18947730) has the molecular formula C6H5Cl3O and a molecular weight of 199.46 g/mol. Its IUPAC name is 1,3,5-trichlorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,3,5-trichlorocyclohexa-2,4-dien-1-ol
PubChem CID18947730
Molecular FormulaC6H5Cl3O
Molecular Weight199.46 g/mol
Exact Mass197.94
IUPAC Name1,3,5-trichlorocyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C=C(Cl)C=C(Cl)C1
InChIInChI=1S/C6H5Cl3O/c7-4-1-5(8)3-6(9,10)2-4/h1-2,10H,3H2
InChIKeyZCLNQBJWUCMGGS-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichlorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,3,5-trichlorocyclohexa-2,4-dien-1-ol (CID 18947730) is 1,3,5-trichlorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,3,5-trichlorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,3,5-trichlorocyclohexa-2,4-dien-1-ol is OC1(Cl)C=C(Cl)C=C(Cl)C1.
What is the InChIKey of 1,3,5-trichlorocyclohexa-2,4-dien-1-ol?
The InChIKey is ZCLNQBJWUCMGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl3O/c7-4-1-5(8)3-6(9,10)2-4/h1-2,10H,3H2.
What are the key properties of 1,3,5-trichlorocyclohexa-2,4-dien-1-ol?
1,3,5-trichlorocyclohexa-2,4-dien-1-ol has a molecular weight of 199.46 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichlorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 18947730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).