2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene

C17H16F2O — CID 177455013

IUPAC2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene
SMILESC=C(CCc1cccc(OC)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2O/c1-12(16-9-8-14(18)11-17(16)19)6-7-13-4-3-5-15(10-13)20-2/h3-5,8-11H,1,6-7H2,2H3
InChIKeyLJHPYHNCTKXHEO-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.62
Rot. Bonds5

About 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene

2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene (PubChem CID 177455013) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene
PubChem CID177455013
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene
SMILESC=C(CCc1cccc(OC)c1)c1ccc(F)cc1F
InChIInChI=1S/C17H16F2O/c1-12(16-9-8-14(18)11-17(16)19)6-7-13-4-3-5-15(10-13)20-2/h3-5,8-11H,1,6-7H2,2H3
InChIKeyLJHPYHNCTKXHEO-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2,5-difluorophenyl)-2-[(3-methoxyphenyl)methoxy]ethanone
CID 62031147
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622
(Z)-2-[2-(3-methoxyphenyl)ethyl]but-2-en-1-amine
CID 70986984
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
N-[4-(3-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 71379556
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene?
The IUPAC name of 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene (CID 177455013) is 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene?
The canonical SMILES for 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene is C=C(CCc1cccc(OC)c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene?
The InChIKey is LJHPYHNCTKXHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-12(16-9-8-14(18)11-17(16)19)6-7-13-4-3-5-15(10-13)20-2/h3-5,8-11H,1,6-7H2,2H3.
What are the key properties of 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene?
2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene has a molecular weight of 274.31 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[4-(3-methoxyphenyl)but-1-en-2-yl]benzene is sourced from PubChem (CID 177455013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).