1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene

C12H12Cl2 — CID 19754823

IUPAC1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene
SMILESClC/C=C(/c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H12Cl2/c13-8-7-12(9-1-2-9)10-3-5-11(14)6-4-10/h3-7,9H,1-2,8H2/b12-7+
InChIKeyKAUMELRKAFBUSB-KPKJPENVSA-N
MW227.13 g/mol
LogP4.37
Rot. Bonds3

About 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene

1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene (PubChem CID 19754823) has the molecular formula C12H12Cl2 and a molecular weight of 227.13 g/mol. Its IUPAC name is 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene
PubChem CID19754823
Molecular FormulaC12H12Cl2
Molecular Weight227.13 g/mol
Exact Mass226.03
IUPAC Name1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene
SMILESClC/C=C(/c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H12Cl2/c13-8-7-12(9-1-2-9)10-3-5-11(14)6-4-10/h3-7,9H,1-2,8H2/b12-7+
InChIKeyKAUMELRKAFBUSB-KPKJPENVSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene (CID 19754823) is 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene is ClC/C=C(/c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene?
The InChIKey is KAUMELRKAFBUSB-KPKJPENVSA-N. The full InChI is InChI=1S/C12H12Cl2/c13-8-7-12(9-1-2-9)10-3-5-11(14)6-4-10/h3-7,9H,1-2,8H2/b12-7+.
What are the key properties of 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene?
1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene has a molecular weight of 227.13 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-3-chloro-1-cyclopropylprop-1-enyl]benzene is sourced from PubChem (CID 19754823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).