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

C20H22F2O — CID 90161451

IUPAC2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESC/C=C/Oc1ccc(CCc2ccc(CCC)cc2)c(F)c1F
InChIInChI=1S/C20H22F2O/c1-3-5-15-6-8-16(9-7-15)10-11-17-12-13-18(23-14-4-2)20(22)19(17)21/h4,6-9,12-14H,3,5,10-11H2,1-2H3/b14-4+
InChIKeySBKISSSWIBJSNO-LNKIKWGQSA-N
MW316.39 g/mol
LogP5.61
Rot. Bonds7

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

2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 90161451) has the molecular formula C20H22F2O and a molecular weight of 316.39 g/mol. Its IUPAC name is 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID90161451
Molecular FormulaC20H22F2O
Molecular Weight316.39 g/mol
Exact Mass316.16
IUPAC Name2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene
SMILESC/C=C/Oc1ccc(CCc2ccc(CCC)cc2)c(F)c1F
InChIInChI=1S/C20H22F2O/c1-3-5-15-6-8-16(9-7-15)10-11-17-12-13-18(23-14-4-2)20(22)19(17)21/h4,6-9,12-14H,3,5,10-11H2,1-2H3/b14-4+
InChIKeySBKISSSWIBJSNO-LNKIKWGQSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.39
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-1-[(E)-prop-1-enoxy]-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

1-[(E)-but-1-enoxy]-2,3-difluoro-4-[2-(4-propylphenyl)ethyl]benzene
CID 90161457
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 90161573
1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene
CID 123708211
2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene
CID 90128758
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 90161639
1-[2-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]ethyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164855
1-prop-1-enoxy-4-propylbenzene
CID 172744984
(2,3-difluoro-4-propylphenyl) 4-propylbenzoate
CID 54565764
1-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164821
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]cyclohexyl]benzene
CID 90161651
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

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene (CID 90161451) is 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene is C/C=C/Oc1ccc(CCc2ccc(CCC)cc2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is SBKISSSWIBJSNO-LNKIKWGQSA-N. The full InChI is InChI=1S/C20H22F2O/c1-3-5-15-6-8-16(9-7-15)10-11-17-12-13-18(23-14-4-2)20(22)19(17)21/h4,6-9,12-14H,3,5,10-11H2,1-2H3/b14-4+.
What are the key properties of 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene?
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 316.39 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 90161451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).