2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene

C24H22F2O — CID 69030505

IUPAC2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
SMILESC=CCCCOc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)cc1
InChIInChI=1S/C24H22F2O/c1-3-4-5-16-27-21-13-11-19(12-14-21)18-7-9-20(10-8-18)22-15-6-17(2)23(25)24(22)26/h3,6-15H,1,4-5,16H2,2H3
InChIKeySDHSLSJAPYGNOL-UHFFFAOYSA-N
MW364.44 g/mol
LogP6.95
Rot. Bonds7

About 2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene

2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene (PubChem CID 69030505) has the molecular formula C24H22F2O and a molecular weight of 364.44 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
PubChem CID69030505
Molecular FormulaC24H22F2O
Molecular Weight364.44 g/mol
Exact Mass364.16
IUPAC Name2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
SMILESC=CCCCOc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)cc1
InChIInChI=1S/C24H22F2O/c1-3-4-5-16-27-21-13-11-19(12-14-21)18-7-9-20(10-8-18)22-15-6-17(2)23(25)24(22)26/h3,6-15H,1,4-5,16H2,2H3
InChIKeySDHSLSJAPYGNOL-UHFFFAOYSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
2,3-difluoro-1-methyl-4-[4-[4-[3-(4-propylcyclohexyl)propoxy]phenyl]phenyl]benzene
CID 121460141
4-[4-[4-[(2,3-difluoro-4-pent-4-enoxyphenyl)methoxy]phenyl]-2,3-difluorophenyl]phenol
CID 143908952
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879
2,3-difluoro-1-(4-pent-4-enoxyphenyl)-4-[(2R)-3,3,3-trifluoro-2-(phosphorosomethyl)propoxy]benzene
CID 166583520
1-[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]-2,3-difluoro-4-methylbenzene
CID 139764850
[4-[4-(4-butoxyphenyl)-2,3-difluorophenyl]phenyl] 3-fluoro-4-pent-4-enoxybenzoate
CID 89430936
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-[4-[(E)-2-(4-but-3-enoxy-2-fluorophenyl)ethenyl]phenyl]-4-(4-butoxyphenyl)-2,3-difluorobenzene
CID 89430402
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(6-methoxyhexoxy)phenyl]benzene
CID 90049279
1-ethoxy-2-fluoro-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene
CID 69031311

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene?
The IUPAC name of 2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene (CID 69030505) is 2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene?
The canonical SMILES for 2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene is C=CCCCOc1ccc(-c2ccc(-c3ccc(C)c(F)c3F)cc2)cc1.
What is the InChIKey of 2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene?
The InChIKey is SDHSLSJAPYGNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2O/c1-3-4-5-16-27-21-13-11-19(12-14-21)18-7-9-20(10-8-18)22-15-6-17(2)23(25)24(22)26/h3,6-15H,1,4-5,16H2,2H3.
What are the key properties of 2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene?
2,3-difluoro-1-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene has a molecular weight of 364.44 g/mol, XLogP of 6.95, 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-methyl-4-[4-(4-pent-4-enoxyphenyl)phenyl]benzene is sourced from PubChem (CID 69030505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).