5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene

C14H12Cl2 — CID 152771326

IUPAC5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
SMILESClC1(Cl)C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C14H12Cl2/c15-14(16)10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyIYBWGJNZODTIPX-UHFFFAOYSA-N
MW251.16 g/mol
LogP4.76
Rot. Bonds2

About 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene

5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene (PubChem CID 152771326) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
PubChem CID152771326
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
SMILESClC1(Cl)C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C14H12Cl2/c15-14(16)10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyIYBWGJNZODTIPX-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 54.76
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

1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-amine
CID 57353442
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
CID 70055728
2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
CID 154438917
1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine
CID 174761842
trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane
CID 70014607
N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 70267811
N,N-dimethyl-1-nitro-4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 87199171
1-acetyloxy-4-(2-phenylethenyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70447229
[4-(2-phenylethenyl)-1-prop-2-enoyloxycyclohexa-2,4-dien-1-yl] prop-2-enoate
CID 70209671
1-[1-methyl-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1H-isoindole
CID 70039817
4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
CID 67648697
(1E,3Z)-2-[(E)-2-phenylethenyl]cyclonona-1,3-diene
CID 102473410

Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene?
The IUPAC name of 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene (CID 152771326) is 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene?
The canonical SMILES for 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene is ClC1(Cl)C=CC(C=Cc2ccccc2)=CC1.
What is the InChIKey of 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene?
The InChIKey is IYBWGJNZODTIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c15-14(16)10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene?
5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene has a molecular weight of 251.16 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 152771326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).