1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone

C12H12F2O2 — CID 155324350

IUPAC1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone
SMILESC=C(C)Cc1cc(F)c(F)c(C(C)=O)c1O
InChIInChI=1S/C12H12F2O2/c1-6(2)4-8-5-9(13)11(14)10(7(3)15)12(8)16/h5,16H,1,4H2,2-3H3
InChIKeyUWCCZTNUWQWKHZ-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.99
Rot. Bonds3

About 1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone

1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone (PubChem CID 155324350) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone
PubChem CID155324350
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone
SMILESC=C(C)Cc1cc(F)c(F)c(C(C)=O)c1O
InChIInChI=1S/C12H12F2O2/c1-6(2)4-8-5-9(13)11(14)10(7(3)15)12(8)16/h5,16H,1,4H2,2-3H3
InChIKeyUWCCZTNUWQWKHZ-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone?
The IUPAC name of 1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone (CID 155324350) is 1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone?
The canonical SMILES for 1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone is C=C(C)Cc1cc(F)c(F)c(C(C)=O)c1O.
What is the InChIKey of 1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone?
The InChIKey is UWCCZTNUWQWKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-6(2)4-8-5-9(13)11(14)10(7(3)15)12(8)16/h5,16H,1,4H2,2-3H3.
What are the key properties of 1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone?
1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone has a molecular weight of 226.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-6-hydroxy-5-(2-methylprop-2-enyl)phenyl]ethanone is sourced from PubChem (CID 155324350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).