1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol

C12H9Cl3O — CID 57350002

IUPAC1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C(Cl)=CC(c2ccccc2)=CC1Cl
InChIInChI=1S/C12H9Cl3O/c13-10-6-9(7-11(14)12(10,15)16)8-4-2-1-3-5-8/h1-7,10,16H
InChIKeySDUBWJKCZFNORP-UHFFFAOYSA-N
MW275.56 g/mol
LogP3.74
Rot. Bonds1

About 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol

1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 57350002) has the molecular formula C12H9Cl3O and a molecular weight of 275.56 g/mol. Its IUPAC name is 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol
PubChem CID57350002
Molecular FormulaC12H9Cl3O
Molecular Weight275.56 g/mol
Exact Mass273.97
IUPAC Name1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C(Cl)=CC(c2ccccc2)=CC1Cl
InChIInChI=1S/C12H9Cl3O/c13-10-6-9(7-11(14)12(10,15)16)8-4-2-1-3-5-8/h1-7,10,16H
InChIKeySDUBWJKCZFNORP-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.56
LogP ≤ 53.74
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 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol (CID 57350002) is 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol is OC1(Cl)C(Cl)=CC(c2ccccc2)=CC1Cl.
What is the InChIKey of 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is SDUBWJKCZFNORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3O/c13-10-6-9(7-11(14)12(10,15)16)8-4-2-1-3-5-8/h1-7,10,16H.
What are the key properties of 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol?
1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 275.56 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trichloro-4-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 57350002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).