2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane

C22H24F2O2 — CID 58021359

IUPAC2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane
SMILESC=CCCc1ccc(C2CCC(c3ccc(OC)c(F)c3F)CO2)cc1
InChIInChI=1S/C22H24F2O2/c1-3-4-5-15-6-8-16(9-7-15)19-12-10-17(14-26-19)18-11-13-20(25-2)22(24)21(18)23/h3,6-9,11,13,17,19H,1,4-5,10,12,14H2,2H3
InChIKeyCHJGMDBHSVZVIP-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.73
Rot. Bonds6

About 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane

2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane (PubChem CID 58021359) has the molecular formula C22H24F2O2 and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane.

Molecular Properties

Compound Name2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane
PubChem CID58021359
Molecular FormulaC22H24F2O2
Molecular Weight358.43 g/mol
Exact Mass358.17
IUPAC Name2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane
SMILESC=CCCc1ccc(C2CCC(c3ccc(OC)c(F)c3F)CO2)cc1
InChIInChI=1S/C22H24F2O2/c1-3-4-5-15-6-8-16(9-7-15)19-12-10-17(14-26-19)18-11-13-20(25-2)22(24)21(18)23/h3,6-9,11,13,17,19H,1,4-5,10,12,14H2,2H3
InChIKeyCHJGMDBHSVZVIP-UHFFFAOYSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-2-[4-(4-but-3-enylphenyl)cyclohexyl]ethenyl]cyclohexyl]-4-butoxy-2,3-difluorobenzene
CID 154607293
2-[4-[(E)-4-[4-(4-but-3-enylphenyl)cyclohexyl]but-3-enyl]-2,3-difluorophenyl]oxirane
CID 88861140
2-[4-[4-[[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]methoxy]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88967541
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)phenyl]but-1-enyl]cyclohexyl]benzene
CID 77417264
5-(2,3-difluoro-4-methylphenyl)-2-(4-methylphenyl)oxane
CID 21337873
2,3-difluoro-1-methoxy-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]benzene
CID 20783054
2-[2-(4-ethenylphenyl)ethyl]-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane
CID 58535778
2-[4-[4-[4-[2-(2,3-difluoro-4-methoxyphenyl)ethyl]cyclohexyl]-2,3-difluorophenyl]-2,3-difluorophenyl]oxirane
CID 88967552
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)but-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 77417322
1-(4-but-3-enylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 139749327
1-[4-(4-ethenyl-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 88997617
5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-(2-fluoro-4-propylphenyl)oxane
CID 58535816

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane?
The IUPAC name of 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane (CID 58021359) is 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane.
What is the SMILES notation for 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane?
The canonical SMILES for 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane is C=CCCc1ccc(C2CCC(c3ccc(OC)c(F)c3F)CO2)cc1.
What is the InChIKey of 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane?
The InChIKey is CHJGMDBHSVZVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2O2/c1-3-4-5-15-6-8-16(9-7-15)19-12-10-17(14-26-19)18-11-13-20(25-2)22(24)21(18)23/h3,6-9,11,13,17,19H,1,4-5,10,12,14H2,2H3.
What are the key properties of 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane?
2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane has a molecular weight of 358.43 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-3-enylphenyl)-5-(2,3-difluoro-4-methoxyphenyl)oxane is sourced from PubChem (CID 58021359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).