5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane

C23H32F2O2 — CID 90801005

IUPAC5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane
SMILESCC=CCCC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CO1
InChIInChI=1S/C23H32F2O2/c1-3-4-5-6-19-12-11-18(15-27-19)16-7-9-17(10-8-16)20-13-14-21(26-2)23(25)22(20)24/h3-4,13-14,16-19H,5-12,15H2,1-2H3
InChIKeyLVYVYVIHBGOGMI-UHFFFAOYSA-N
MW378.50 g/mol
LogP6.40
Rot. Bonds6

About 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane

5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane (PubChem CID 90801005) has the molecular formula C23H32F2O2 and a molecular weight of 378.50 g/mol. Its IUPAC name is 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane.

Molecular Properties

Compound Name5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane
PubChem CID90801005
Molecular FormulaC23H32F2O2
Molecular Weight378.50 g/mol
Exact Mass378.24
IUPAC Name5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane
SMILESCC=CCCC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CO1
InChIInChI=1S/C23H32F2O2/c1-3-4-5-6-19-12-11-18(15-27-19)16-7-9-17(10-8-16)20-13-14-21(26-2)23(25)22(20)24/h3-4,13-14,16-19H,5-12,15H2,1-2H3
InChIKeyLVYVYVIHBGOGMI-UHFFFAOYSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 56.40
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

5-[4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]cyclohexyl]-2-[(E)-pent-3-enyl]oxane
CID 58021312
2-[4-(2,3-difluoro-4-propoxyphenyl)cyclohexyl]-5-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]oxane
CID 58021203
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)cyclohexyl]cyclohexyl]-2-(4-pent-3-enylcyclohexyl)oxane
CID 91311432
5-[4-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]phenyl]cyclohexyl]-2-pent-3-enyloxane
CID 91216721
5-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]cyclohexyl]cyclohexyl]-2-pent-3-enyloxane
CID 90890363
5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2-(6-propyloxan-3-yl)oxane
CID 67968505
2,3-difluoro-1-methoxy-4-[4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]benzene
CID 20621725
2-[4-[4-[4-(2,3-difluoro-4-propoxyphenyl)cyclohexyl]cyclohexyl]cyclohexyl]-5-[(E)-pent-3-enyl]oxane
CID 58021362
5-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2-prop-1-enyloxane
CID 91046335
2-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 58021302
1-[2,3-difluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]phenyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90161638
5-(2,3-difluoro-4-propoxyphenyl)-2-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]oxane
CID 91102344

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane?
The IUPAC name of 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane (CID 90801005) is 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane.
What is the SMILES notation for 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane?
The canonical SMILES for 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane is CC=CCCC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CO1.
What is the InChIKey of 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane?
The InChIKey is LVYVYVIHBGOGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2O2/c1-3-4-5-6-19-12-11-18(15-27-19)16-7-9-17(10-8-16)20-13-14-21(26-2)23(25)22(20)24/h3-4,13-14,16-19H,5-12,15H2,1-2H3.
What are the key properties of 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane?
5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane has a molecular weight of 378.50 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-difluoro-4-methoxyphenyl)cyclohexyl]-2-pent-3-enyloxane is sourced from PubChem (CID 90801005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).