4,4,6,6-tetrachloro-1-phenylcyclohexene

C12H10Cl4 — CID 53412432

IUPAC4,4,6,6-tetrachloro-1-phenylcyclohexene
SMILESClC1(Cl)CC=C(c2ccccc2)C(Cl)(Cl)C1
InChIInChI=1S/C12H10Cl4/c13-11(14)7-6-10(12(15,16)8-11)9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyFCJQOWWVJFTXBN-UHFFFAOYSA-N
MW296.02 g/mol
LogP5.21
Rot. Bonds1

About 4,4,6,6-tetrachloro-1-phenylcyclohexene

4,4,6,6-tetrachloro-1-phenylcyclohexene (PubChem CID 53412432) has the molecular formula C12H10Cl4 and a molecular weight of 296.02 g/mol. Its IUPAC name is 4,4,6,6-tetrachloro-1-phenylcyclohexene.

Molecular Properties

Compound Name4,4,6,6-tetrachloro-1-phenylcyclohexene
PubChem CID53412432
Molecular FormulaC12H10Cl4
Molecular Weight296.02 g/mol
Exact Mass293.95
IUPAC Name4,4,6,6-tetrachloro-1-phenylcyclohexene
SMILESClC1(Cl)CC=C(c2ccccc2)C(Cl)(Cl)C1
InChIInChI=1S/C12H10Cl4/c13-11(14)7-6-10(12(15,16)8-11)9-4-2-1-3-5-9/h1-6H,7-8H2
InChIKeyFCJQOWWVJFTXBN-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.02
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3aR,6aR)-3a,6a-dimethyl-3,6-diphenyl-1,4-dihydropentalene
CID 11837589
5,5-dimethoxy-4-phenylcyclohex-3-ene-1,1-diamine
CID 129319267
5,5-dibromo-1-methoxy-2-phenylcyclohex-2-en-1-amine
CID 70183955
4-phenyl-5,5-bis(trifluoromethyl)cyclohex-3-ene-1,1-dicarboxylic acid
CID 87565292
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
beryllium;1,1'-biphenyl;hydride
CID 173156439
2,2,6,6-tetratert-butyl-3-phenylcyclohex-3-ene-1,1-diol
CID 126481697
benzene;tris(1,1'-biphenyl)
CID 162155747
1,2,3,3,6,6-hexachloro-4-phenylcyclohexa-1,4-diene
CID 57350426
1,4,4-trifluoro-2-phenylcyclobut-2-ene-1-carboxylic acid
CID 12635516
5-phenylcyclohex-5-ene-1,1,2,2,4,4-hexol
CID 45116850
1,1'-biphenyl;cycloheptane
CID 174877368

Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetrachloro-1-phenylcyclohexene?
The IUPAC name of 4,4,6,6-tetrachloro-1-phenylcyclohexene (CID 53412432) is 4,4,6,6-tetrachloro-1-phenylcyclohexene.
What is the SMILES notation for 4,4,6,6-tetrachloro-1-phenylcyclohexene?
The canonical SMILES for 4,4,6,6-tetrachloro-1-phenylcyclohexene is ClC1(Cl)CC=C(c2ccccc2)C(Cl)(Cl)C1.
What is the InChIKey of 4,4,6,6-tetrachloro-1-phenylcyclohexene?
The InChIKey is FCJQOWWVJFTXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl4/c13-11(14)7-6-10(12(15,16)8-11)9-4-2-1-3-5-9/h1-6H,7-8H2.
What are the key properties of 4,4,6,6-tetrachloro-1-phenylcyclohexene?
4,4,6,6-tetrachloro-1-phenylcyclohexene has a molecular weight of 296.02 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetrachloro-1-phenylcyclohexene is sourced from PubChem (CID 53412432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).