5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane

C34H38F2O2 — CID 58021475

IUPAC5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane
SMILESC=CC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCC)c(F)c5F)cc4)cc3)CC2)CO1
InChIInChI=1S/C34H38F2O2/c1-3-21-37-32-20-19-31(33(35)34(32)36)28-15-13-26(14-16-28)24-7-5-23(6-8-24)25-9-11-27(12-10-25)29-17-18-30(4-2)38-22-29/h4-8,13-16,19-20,25,27,29-30H,2-3,9-12,17-18,21-22H2,1H3
InChIKeyLBLIOGHMTSYFFO-UHFFFAOYSA-N
MW516.67 g/mol
LogP9.34
Rot. Bonds8

About 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane

5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane (PubChem CID 58021475) has the molecular formula C34H38F2O2 and a molecular weight of 516.67 g/mol. Its IUPAC name is 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane.

Molecular Properties

Compound Name5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane
PubChem CID58021475
Molecular FormulaC34H38F2O2
Molecular Weight516.67 g/mol
Exact Mass516.28
IUPAC Name5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane
SMILESC=CC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCC)c(F)c5F)cc4)cc3)CC2)CO1
InChIInChI=1S/C34H38F2O2/c1-3-21-37-32-20-19-31(33(35)34(32)36)28-15-13-26(14-16-28)24-7-5-23(6-8-24)25-9-11-27(12-10-25)29-17-18-30(4-2)38-22-29/h4-8,13-16,19-20,25,27,29-30H,2-3,9-12,17-18,21-22H2,1H3
InChIKeyLBLIOGHMTSYFFO-UHFFFAOYSA-N
XLogP9.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 59.34
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-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]-2-(4-ethenylcyclohexyl)oxane
CID 58021212
5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]cyclohexyl]cyclohexyl]-2-pent-3-enyloxane
CID 90890363
5-[4-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-3-fluorophenyl]-2-ethenyloxane
CID 67733232
5-(4-but-3-enylcyclohexyl)-2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]oxane
CID 58021190
5-[4-[4-(2,3-difluoro-4-nonoxyphenyl)phenyl]-3-fluorophenyl]-2-ethenyloxane
CID 67733267
5-[4-[4-(4-butoxy-2,3-difluorophenyl)phenyl]-2-fluorophenyl]-2-ethenyloxane
CID 67733684
5-(4-but-3-enylcyclohexyl)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]oxane
CID 58021374
2-(4-but-3-enylcyclohexyl)-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexyl]oxane
CID 58021384
2-ethenyl-5-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]oxane
CID 58021340
5-(4-ethenylcyclohexyl)-2-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]phenyl]oxane
CID 58021231
2-but-1-enyl-5-[4-(4-butoxy-2,3-difluorophenyl)phenyl]oxane
CID 90823074

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane?
The IUPAC name of 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane (CID 58021475) is 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane.
What is the SMILES notation for 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane?
The canonical SMILES for 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane is C=CC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCC)c(F)c5F)cc4)cc3)CC2)CO1.
What is the InChIKey of 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane?
The InChIKey is LBLIOGHMTSYFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2O2/c1-3-21-37-32-20-19-31(33(35)34(32)36)28-15-13-26(14-16-28)24-7-5-23(6-8-24)25-9-11-27(12-10-25)29-17-18-30(4-2)38-22-29/h4-8,13-16,19-20,25,27,29-30H,2-3,9-12,17-18,21-22H2,1H3.
What are the key properties of 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane?
5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane has a molecular weight of 516.67 g/mol, XLogP of 9.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]phenyl]cyclohexyl]-2-ethenyloxane is sourced from PubChem (CID 58021475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).