1,3-dichloro-2,4-bis(prop-2-enyl)benzene

C12H12Cl2 — CID 173196213

IUPAC1,3-dichloro-2,4-bis(prop-2-enyl)benzene
SMILESC=CCc1ccc(Cl)c(CC=C)c1Cl
InChIInChI=1S/C12H12Cl2/c1-3-5-9-7-8-11(13)10(6-4-2)12(9)14/h3-4,7-8H,1-2,5-6H2
InChIKeyMNEWHFSDMTYQRT-UHFFFAOYSA-N
MW227.13 g/mol
LogP4.45
Rot. Bonds4

About 1,3-dichloro-2,4-bis(prop-2-enyl)benzene

1,3-dichloro-2,4-bis(prop-2-enyl)benzene (PubChem CID 173196213) has the molecular formula C12H12Cl2 and a molecular weight of 227.13 g/mol. Its IUPAC name is 1,3-dichloro-2,4-bis(prop-2-enyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2,4-bis(prop-2-enyl)benzene
PubChem CID173196213
Molecular FormulaC12H12Cl2
Molecular Weight227.13 g/mol
Exact Mass226.03
IUPAC Name1,3-dichloro-2,4-bis(prop-2-enyl)benzene
SMILESC=CCc1ccc(Cl)c(CC=C)c1Cl
InChIInChI=1S/C12H12Cl2/c1-3-5-9-7-8-11(13)10(6-4-2)12(9)14/h3-4,7-8H,1-2,5-6H2
InChIKeyMNEWHFSDMTYQRT-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-2,6-bis(prop-2-enyl)aniline
CID 88739383
3-chloro-4-prop-2-enylphenol
CID 70565458
4-chloro-3-prop-2-enylphenol
CID 67612288
1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
CID 70536886
7-chloro-4-prop-2-enyl-1-benzofuran
CID 140997088
3-amino-2,6-bis(prop-2-enyl)phenol
CID 158258478
azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene
CID 130386839
1,2,3-triethyl-4-prop-2-enylbenzene
CID 18622289
2,5-dichloro-1-(2,5-dichloro-3-prop-2-enylphenoxy)-3-prop-2-enylbenzene
CID 141308545
4-chloro-3-hydroxy-2-prop-2-enylbenzoic acid
CID 141207283
[3-chloro-2-fluoro-5,6-bis(prop-2-enyl)phenyl]hydrazine
CID 175395544
(10-chloro-4-prop-2-enylanthracen-9-yl)methanamine;hydrochloride
CID 90242075

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2,4-bis(prop-2-enyl)benzene?
The IUPAC name of 1,3-dichloro-2,4-bis(prop-2-enyl)benzene (CID 173196213) is 1,3-dichloro-2,4-bis(prop-2-enyl)benzene.
What is the SMILES notation for 1,3-dichloro-2,4-bis(prop-2-enyl)benzene?
The canonical SMILES for 1,3-dichloro-2,4-bis(prop-2-enyl)benzene is C=CCc1ccc(Cl)c(CC=C)c1Cl.
What is the InChIKey of 1,3-dichloro-2,4-bis(prop-2-enyl)benzene?
The InChIKey is MNEWHFSDMTYQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2/c1-3-5-9-7-8-11(13)10(6-4-2)12(9)14/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1,3-dichloro-2,4-bis(prop-2-enyl)benzene?
1,3-dichloro-2,4-bis(prop-2-enyl)benzene has a molecular weight of 227.13 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2,4-bis(prop-2-enyl)benzene is sourced from PubChem (CID 173196213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).