1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene

C11H11BrCl2O — CID 175490364

IUPAC1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene
SMILESCCOc1cc(Cl)c(C=CCBr)cc1Cl
InChIInChI=1S/C11H11BrCl2O/c1-2-15-11-7-9(13)8(4-3-5-12)6-10(11)14/h3-4,6-7H,2,5H2,1H3
InChIKeyMDSFUZMQNLWXQZ-UHFFFAOYSA-N
MW310.02 g/mol
LogP4.80
Rot. Bonds4

About 1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene

1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene (PubChem CID 175490364) has the molecular formula C11H11BrCl2O and a molecular weight of 310.02 g/mol. Its IUPAC name is 1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene.

Molecular Properties

Compound Name1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene
PubChem CID175490364
Molecular FormulaC11H11BrCl2O
Molecular Weight310.02 g/mol
Exact Mass307.94
IUPAC Name1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene
SMILESCCOc1cc(Cl)c(C=CCBr)cc1Cl
InChIInChI=1S/C11H11BrCl2O/c1-2-15-11-7-9(13)8(4-3-5-12)6-10(11)14/h3-4,6-7H,2,5H2,1H3
InChIKeyMDSFUZMQNLWXQZ-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.02
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene?
The IUPAC name of 1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene (CID 175490364) is 1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene.
What is the SMILES notation for 1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene?
The canonical SMILES for 1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene is CCOc1cc(Cl)c(C=CCBr)cc1Cl.
What is the InChIKey of 1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene?
The InChIKey is MDSFUZMQNLWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2O/c1-2-15-11-7-9(13)8(4-3-5-12)6-10(11)14/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene?
1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene has a molecular weight of 310.02 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-1-enyl)-2,5-dichloro-4-ethoxybenzene is sourced from PubChem (CID 175490364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).