2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene

C15H11Cl2FO — CID 69117199

IUPAC2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1cccc(F)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FO/c1-2-8-19-14-5-3-4-13(18)15(14)11-7-6-10(16)9-12(11)17/h2-7,9H,1,8H2
InChIKeyXYYHNLWZWHFZCH-UHFFFAOYSA-N
MW297.16 g/mol
LogP5.36
Rot. Bonds4

About 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene

2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene (PubChem CID 69117199) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene.

Molecular Properties

Compound Name2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene
PubChem CID69117199
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1cccc(F)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2FO/c1-2-8-19-14-5-3-4-13(18)15(14)11-7-6-10(16)9-12(11)17/h2-7,9H,1,8H2
InChIKeyXYYHNLWZWHFZCH-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.16
LogP ≤ 55.36
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 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene?
The IUPAC name of 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene (CID 69117199) is 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene.
What is the SMILES notation for 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene?
The canonical SMILES for 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene is C=CCOc1cccc(F)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene?
The InChIKey is XYYHNLWZWHFZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO/c1-2-8-19-14-5-3-4-13(18)15(14)11-7-6-10(16)9-12(11)17/h2-7,9H,1,8H2.
What are the key properties of 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene?
2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene has a molecular weight of 297.16 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(2-fluoro-6-prop-2-enoxyphenyl)benzene is sourced from PubChem (CID 69117199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).