1,2-dichloro-3-prop-2-enoxybenzene

C9H8Cl2O — CID 637359

IUPAC1,2-dichloro-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O/c1-2-6-12-8-5-3-4-7(10)9(8)11/h2-5H,1,6H2
InChIKeyJEQWQCYJSRVOJJ-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.56
Rot. Bonds3

About 1,2-dichloro-3-prop-2-enoxybenzene

1,2-dichloro-3-prop-2-enoxybenzene (PubChem CID 637359) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 1,2-dichloro-3-prop-2-enoxybenzene.

Molecular Properties

Compound Name1,2-dichloro-3-prop-2-enoxybenzene
PubChem CID637359
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name1,2-dichloro-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2O/c1-2-6-12-8-5-3-4-7(10)9(8)11/h2-5H,1,6H2
InChIKeyJEQWQCYJSRVOJJ-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-prop-2-enoxybenzene?
The IUPAC name of 1,2-dichloro-3-prop-2-enoxybenzene (CID 637359) is 1,2-dichloro-3-prop-2-enoxybenzene.
What is the SMILES notation for 1,2-dichloro-3-prop-2-enoxybenzene?
The canonical SMILES for 1,2-dichloro-3-prop-2-enoxybenzene is C=CCOc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-prop-2-enoxybenzene?
The InChIKey is JEQWQCYJSRVOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-2-6-12-8-5-3-4-7(10)9(8)11/h2-5H,1,6H2.
What are the key properties of 1,2-dichloro-3-prop-2-enoxybenzene?
1,2-dichloro-3-prop-2-enoxybenzene has a molecular weight of 203.07 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-prop-2-enoxybenzene is sourced from PubChem (CID 637359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).