2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol

C15H11Cl2FO — CID 129394217

IUPAC2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1cc(F)cc(-c2c(Cl)cccc2Cl)c1O
InChIInChI=1S/C15H11Cl2FO/c1-2-4-9-7-10(18)8-11(15(9)19)14-12(16)5-3-6-13(14)17/h2-8,19H,1H3/b4-2+
InChIKeyLRFLOOGFELMYOQ-DUXPYHPUSA-N
MW297.16 g/mol
LogP5.54
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol

2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol (PubChem CID 129394217) has the molecular formula C15H11Cl2FO and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol
PubChem CID129394217
Molecular FormulaC15H11Cl2FO
Molecular Weight297.16 g/mol
Exact Mass296.02
IUPAC Name2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol
SMILESC/C=C/c1cc(F)cc(-c2c(Cl)cccc2Cl)c1O
InChIInChI=1S/C15H11Cl2FO/c1-2-4-9-7-10(18)8-11(15(9)19)14-12(16)5-3-6-13(14)17/h2-8,19H,1H3/b4-2+
InChIKeyLRFLOOGFELMYOQ-DUXPYHPUSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.16
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol?
The IUPAC name of 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol (CID 129394217) is 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol is C/C=C/c1cc(F)cc(-c2c(Cl)cccc2Cl)c1O.
What is the InChIKey of 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol?
The InChIKey is LRFLOOGFELMYOQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C15H11Cl2FO/c1-2-4-9-7-10(18)8-11(15(9)19)14-12(16)5-3-6-13(14)17/h2-8,19H,1H3/b4-2+.
What are the key properties of 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol?
2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol has a molecular weight of 297.16 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-4-fluoro-6-[(E)-prop-1-enyl]phenol is sourced from PubChem (CID 129394217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).