2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran

C24H28F2O2 — CID 122480114

IUPAC2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran
SMILESCCCCCC1=CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)OC1
InChIInChI=1S/C24H28F2O2/c1-3-5-6-7-17-8-14-21(28-16-17)19-11-9-18(10-12-19)20-13-15-22(27-4-2)24(26)23(20)25/h8-13,15,21H,3-7,14,16H2,1-2H3
InChIKeyJENKTQCXHAWCPQ-UHFFFAOYSA-N
MW386.48 g/mol
LogP7.00
Rot. Bonds8

About 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran

2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran (PubChem CID 122480114) has the molecular formula C24H28F2O2 and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran
PubChem CID122480114
Molecular FormulaC24H28F2O2
Molecular Weight386.48 g/mol
Exact Mass386.21
IUPAC Name2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran
SMILESCCCCCC1=CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)OC1
InChIInChI=1S/C24H28F2O2/c1-3-5-6-7-17-8-14-21(28-16-17)19-11-9-18(10-12-19)20-13-15-22(27-4-2)24(26)23(20)25/h8-13,15,21H,3-7,14,16H2,1-2H3
InChIKeyJENKTQCXHAWCPQ-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]oxetane
CID 67957771
3-[4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]phenyl]-6-propyl-3,4-dihydro-2H-pyran
CID 118583660
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylphenyl)cyclohex-2-en-1-yl]phenyl]benzene
CID 139334431
2-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-5-nonyl-1,3-dioxane
CID 101035109
2-[4-(2,3-difluoro-4-hexoxyphenyl)phenyl]-5-nonyl-1,3-dioxane
CID 101035110
(2R,4aR,8aR)-2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809263
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1-methyl-1-pentylcycloheptane
CID 145346141
5-[2-(4-ethoxy-2,3-difluorophenyl)ethyl]-2-propyl-3,6-dihydro-2H-pyran
CID 122479941
1-ethoxy-2,3-difluoro-4-[4-[4-[4-(4-pentylphenyl)cyclohexyl]but-3-enyl]phenyl]benzene
CID 77417289
1-ethoxy-2,3-difluoro-4-[4-(4-methyl-4-pentoxycyclohexyl)phenyl]benzene
CID 130197949
CID 19609427
CID 19609427
1-dodecoxy-4-[4-(4-dodecylphenyl)phenyl]-2,3-difluorobenzene
CID 54324637

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran (CID 122480114) is 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran is CCCCCC1=CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)OC1.
What is the InChIKey of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran?
The InChIKey is JENKTQCXHAWCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2O2/c1-3-5-6-7-17-8-14-21(28-16-17)19-11-9-18(10-12-19)20-13-15-22(27-4-2)24(26)23(20)25/h8-13,15,21H,3-7,14,16H2,1-2H3.
What are the key properties of 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran?
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran has a molecular weight of 386.48 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-pentyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 122480114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).