1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene

C21H24F2O — CID 90161457

IUPAC1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCC/C=C/Oc1ccc(CCc2ccc(CCC)cc2)c(F)c1F
InChIInChI=1S/C21H24F2O/c1-3-5-15-24-19-14-13-18(20(22)21(19)23)12-11-17-9-7-16(6-4-2)8-10-17/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3/b15-5+
InChIKeyFQWALSGDXLOYHZ-PJQLUOCWSA-N
MW330.42 g/mol
LogP6.01
Rot. Bonds8

About 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene

1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 90161457) has the molecular formula C21H24F2O and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID90161457
Molecular FormulaC21H24F2O
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCC/C=C/Oc1ccc(CCc2ccc(CCC)cc2)c(F)c1F
InChIInChI=1S/C21H24F2O/c1-3-5-15-24-19-14-13-18(20(22)21(19)23)12-11-17-9-7-16(6-4-2)8-10-17/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3/b15-5+
InChIKeyFQWALSGDXLOYHZ-PJQLUOCWSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]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

2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene
CID 90161451
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 90161573
(2,3-difluoro-4-propylphenyl) 4-propylbenzoate
CID 54565764
1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene
CID 123708211
2,3-difluoro-1-hept-1-enoxy-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 123518812
2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene
CID 90128758
1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991602
2-fluoro-1,3-dimethyl-4-[2-(4-propylphenyl)ethyl]benzene
CID 134237119
2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 118858642
1-ethoxy-2,3-difluoro-4-[2-[4-(5-fluorohex-4-enyl)phenyl]ethyl]benzene
CID 123410240
1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 123313096
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene (CID 90161457) is 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene is CC/C=C/Oc1ccc(CCc2ccc(CCC)cc2)c(F)c1F.
What is the InChIKey of 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is FQWALSGDXLOYHZ-PJQLUOCWSA-N. The full InChI is InChI=1S/C21H24F2O/c1-3-5-15-24-19-14-13-18(20(22)21(19)23)12-11-17-9-7-16(6-4-2)8-10-17/h5,7-10,13-15H,3-4,6,11-12H2,1-2H3/b15-5+.
What are the key properties of 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene?
1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 330.42 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 90161457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).