1,2-dichloro-5-phenylcyclohexa-1,3-diene

C12H10Cl2 — CID 175741102

IUPAC1,2-dichloro-5-phenylcyclohexa-1,3-diene
SMILESClC1=C(Cl)CC(c2ccccc2)C=C1
InChIInChI=1S/C12H10Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-7,10H,8H2
InChIKeyYROKOSQDGUEPIT-UHFFFAOYSA-N
MW225.12 g/mol
LogP4.42
Rot. Bonds1

About 1,2-dichloro-5-phenylcyclohexa-1,3-diene

1,2-dichloro-5-phenylcyclohexa-1,3-diene (PubChem CID 175741102) has the molecular formula C12H10Cl2 and a molecular weight of 225.12 g/mol. Its IUPAC name is 1,2-dichloro-5-phenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-dichloro-5-phenylcyclohexa-1,3-diene
PubChem CID175741102
Molecular FormulaC12H10Cl2
Molecular Weight225.12 g/mol
Exact Mass224.02
IUPAC Name1,2-dichloro-5-phenylcyclohexa-1,3-diene
SMILESClC1=C(Cl)CC(c2ccccc2)C=C1
InChIInChI=1S/C12H10Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-7,10H,8H2
InChIKeyYROKOSQDGUEPIT-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-5-phenylcyclohexa-1,3-diene?
The IUPAC name of 1,2-dichloro-5-phenylcyclohexa-1,3-diene (CID 175741102) is 1,2-dichloro-5-phenylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2-dichloro-5-phenylcyclohexa-1,3-diene?
The canonical SMILES for 1,2-dichloro-5-phenylcyclohexa-1,3-diene is ClC1=C(Cl)CC(c2ccccc2)C=C1.
What is the InChIKey of 1,2-dichloro-5-phenylcyclohexa-1,3-diene?
The InChIKey is YROKOSQDGUEPIT-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/h1-7,10H,8H2.
What are the key properties of 1,2-dichloro-5-phenylcyclohexa-1,3-diene?
1,2-dichloro-5-phenylcyclohexa-1,3-diene has a molecular weight of 225.12 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-5-phenylcyclohexa-1,3-diene is sourced from PubChem (CID 175741102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).