3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol

C16H14F2O — CID 54113945

IUPAC3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol
SMILESCC(=CCO)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2O/c1-11(8-9-19)12-2-4-13(5-3-12)15-7-6-14(17)10-16(15)18/h2-8,10,19H,9H2,1H3
InChIKeyNJAIJWOZOXEWLS-UHFFFAOYSA-N
MW260.28 g/mol
LogP4.03
Rot. Bonds3

About 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol

3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol (PubChem CID 54113945) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol
PubChem CID54113945
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol
SMILESCC(=CCO)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2O/c1-11(8-9-19)12-2-4-13(5-3-12)15-7-6-14(17)10-16(15)18/h2-8,10,19H,9H2,1H3
InChIKeyNJAIJWOZOXEWLS-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol?
The IUPAC name of 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol (CID 54113945) is 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol.
What is the SMILES notation for 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol?
The canonical SMILES for 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol is CC(=CCO)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol?
The InChIKey is NJAIJWOZOXEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-11(8-9-19)12-2-4-13(5-3-12)15-7-6-14(17)10-16(15)18/h2-8,10,19H,9H2,1H3.
What are the key properties of 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol?
3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol has a molecular weight of 260.28 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol is sourced from PubChem (CID 54113945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).