5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane

C30H30F4O — CID 58535672

IUPAC5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
SMILESC=Cc1ccc(CCc2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C30H30F4O/c1-3-5-23-14-12-22(18-35-23)24-16-17-26(30(34)28(24)32)25-15-13-21(27(31)29(25)33)11-10-20-8-6-19(4-2)7-9-20/h4,6-9,13,15-17,22-23H,2-3,5,10-12,14,18H2,1H3
InChIKeyBIBNVOYKBRNSBR-UHFFFAOYSA-N
MW482.56 g/mol
LogP8.40
Rot. Bonds8

About 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane

5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane (PubChem CID 58535672) has the molecular formula C30H30F4O and a molecular weight of 482.56 g/mol. Its IUPAC name is 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane.

Molecular Properties

Compound Name5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
PubChem CID58535672
Molecular FormulaC30H30F4O
Molecular Weight482.56 g/mol
Exact Mass482.22
IUPAC Name5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
SMILESC=Cc1ccc(CCc2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3F)c(F)c2F)cc1
InChIInChI=1S/C30H30F4O/c1-3-5-23-14-12-22(18-35-23)24-16-17-26(30(34)28(24)32)25-15-13-21(27(31)29(25)33)11-10-20-8-6-19(4-2)7-9-20/h4,6-9,13,15-17,22-23H,2-3,5,10-12,14,18H2,1H3
InChIKeyBIBNVOYKBRNSBR-UHFFFAOYSA-N
XLogP8.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane with MolForge

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Related Compounds

5-[4-[4-[2-(4-ethenyl-2-fluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535839
5-[4-[4-[2-(4-ethenyl-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535303
2-[2-(4-ethenylphenyl)ethyl]-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane
CID 58535778
5-[4-[2,3-difluoro-4-[2-(3-fluoro-4-propylphenyl)ethyl]phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535679
5-[4-[4-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535845
5-[4-[2,3-difluoro-4-[2-(4-propylphenyl)ethyl]phenyl]-2,3-difluorophenyl]-2-ethenyloxane
CID 58535362
5-but-3-enyl-2-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]oxane
CID 58535518
5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733920
2-[2-(4-ethenyl-2-fluorophenyl)ethyl]-5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]oxane
CID 58535642
5-[4-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535318
5-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535782
5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane
CID 58535308

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane?
The IUPAC name of 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane (CID 58535672) is 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane.
What is the SMILES notation for 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane?
The canonical SMILES for 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane is C=Cc1ccc(CCc2ccc(-c3ccc(C4CCC(CCC)OC4)c(F)c3F)c(F)c2F)cc1.
What is the InChIKey of 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane?
The InChIKey is BIBNVOYKBRNSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4O/c1-3-5-23-14-12-22(18-35-23)24-16-17-26(30(34)28(24)32)25-15-13-21(27(31)29(25)33)11-10-20-8-6-19(4-2)7-9-20/h4,6-9,13,15-17,22-23H,2-3,5,10-12,14,18H2,1H3.
What are the key properties of 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane?
5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane has a molecular weight of 482.56 g/mol, XLogP of 8.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[2-(4-ethenylphenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane is sourced from PubChem (CID 58535672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).