1,3-dichloroprop-1-ene;toluene

C10H12Cl2 — CID 158147314

IUPAC1,3-dichloroprop-1-ene;toluene
SMILESCc1ccccc1.ClC=CCCl
InChIInChI=1S/C7H8.C3H4Cl2/c1-7-5-3-2-4-6-7;4-2-1-3-5/h2-6H,1H3;1-2H,3H2
InChIKeyFURDTMGBZKVEHC-UHFFFAOYSA-N
MW203.11 g/mol
LogP3.97
Rot. Bonds1

About 1,3-dichloroprop-1-ene;toluene

1,3-dichloroprop-1-ene;toluene (PubChem CID 158147314) has the molecular formula C10H12Cl2 and a molecular weight of 203.11 g/mol. Its IUPAC name is 1,3-dichloroprop-1-ene;toluene.

Molecular Properties

Compound Name1,3-dichloroprop-1-ene;toluene
PubChem CID158147314
Molecular FormulaC10H12Cl2
Molecular Weight203.11 g/mol
Exact Mass202.03
IUPAC Name1,3-dichloroprop-1-ene;toluene
SMILESCc1ccccc1.ClC=CCCl
InChIInChI=1S/C7H8.C3H4Cl2/c1-7-5-3-2-4-6-7;4-2-1-3-5/h2-6H,1H3;1-2H,3H2
InChIKeyFURDTMGBZKVEHC-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 53.97
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 1,3-dichloroprop-1-ene;toluene?
The IUPAC name of 1,3-dichloroprop-1-ene;toluene (CID 158147314) is 1,3-dichloroprop-1-ene;toluene.
What is the SMILES notation for 1,3-dichloroprop-1-ene;toluene?
The canonical SMILES for 1,3-dichloroprop-1-ene;toluene is Cc1ccccc1.ClC=CCCl.
What is the InChIKey of 1,3-dichloroprop-1-ene;toluene?
The InChIKey is FURDTMGBZKVEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H4Cl2/c1-7-5-3-2-4-6-7;4-2-1-3-5/h2-6H,1H3;1-2H,3H2.
What are the key properties of 1,3-dichloroprop-1-ene;toluene?
1,3-dichloroprop-1-ene;toluene has a molecular weight of 203.11 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloroprop-1-ene;toluene is sourced from PubChem (CID 158147314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).