1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene

C12H10Cl2 — CID 173197381

IUPAC1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene
SMILESClc1ccc(C2=CC=CCC2)cc1Cl
InChIInChI=1S/C12H10Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-2,4,6-8H,3,5H2
InChIKeyMOLADDCGHOJLCX-UHFFFAOYSA-N
MW225.12 g/mol
LogP4.73
Rot. Bonds1

About 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene

1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene (PubChem CID 173197381) has the molecular formula C12H10Cl2 and a molecular weight of 225.12 g/mol. Its IUPAC name is 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene
PubChem CID173197381
Molecular FormulaC12H10Cl2
Molecular Weight225.12 g/mol
Exact Mass224.02
IUPAC Name1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene
SMILESClc1ccc(C2=CC=CCC2)cc1Cl
InChIInChI=1S/C12H10Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-2,4,6-8H,3,5H2
InChIKeyMOLADDCGHOJLCX-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

P,P'-dde
CID 3035
2,2',3,3',4-Pentachlorobiphenyl
CID 40470
Pcb 77
CID 36187
Pcb 126
CID 63090
Pcb 128
CID 38018
2,3',4,4',5-Pentachlorobiphenyl
CID 35823
Pcb 105
CID 36188
2,3,3',4,4',5-Hexachlorobiphenyl
CID 38019
Pcb 114
CID 53036
3,3',4,4',5,5'-Hexachlorobiphenyl
CID 36231
Pcb 101
CID 37807
Pcb 99
CID 38013

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene?
The IUPAC name of 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene (CID 173197381) is 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene.
What is the SMILES notation for 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene?
The canonical SMILES for 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene is Clc1ccc(C2=CC=CCC2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene?
The InChIKey is MOLADDCGHOJLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-2,4,6-8H,3,5H2.
What are the key properties of 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene?
1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene has a molecular weight of 225.12 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-cyclohexa-1,3-dien-1-ylbenzene is sourced from PubChem (CID 173197381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).