2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene

C39H34F4O2Se2 — CID 159572686

IUPAC2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(C)[se]3)cc2)c(F)c1F.CCCOc1ccc(-c2ccc(-c3ccc[se]3)cc2)c(F)c1F
InChIInChI=1S/C20H18F2OSe.C19H16F2OSe/c1-3-12-23-17-10-9-16(19(21)20(17)22)14-5-7-15(8-6-14)18-11-4-13(2)24-18;1-2-11-22-16-10-9-15(18(20)19(16)21)13-5-7-14(8-6-13)17-4-3-12-23-17/h4-11H,3,12H2,1-2H3;3-10,12H,2,11H2,1H3
InChIKeyMIACXHYNPJFXMX-UHFFFAOYSA-N
MW768.61 g/mol
LogP10.60
Rot. Bonds10

About 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene

2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene (PubChem CID 159572686) has the molecular formula C39H34F4O2Se2 and a molecular weight of 768.61 g/mol. Its IUPAC name is 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene.

Molecular Properties

Compound Name2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene
PubChem CID159572686
Molecular FormulaC39H34F4O2Se2
Molecular Weight768.61 g/mol
Exact Mass770.08
IUPAC Name2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(C)[se]3)cc2)c(F)c1F.CCCOc1ccc(-c2ccc(-c3ccc[se]3)cc2)c(F)c1F
InChIInChI=1S/C20H18F2OSe.C19H16F2OSe/c1-3-12-23-17-10-9-16(19(21)20(17)22)14-5-7-15(8-6-14)18-11-4-13(2)24-18;1-2-11-22-16-10-9-15(18(20)19(16)21)13-5-7-14(8-6-13)17-4-3-12-23-17/h4-11H,3,12H2,1-2H3;3-10,12H,2,11H2,1H3
InChIKeyMIACXHYNPJFXMX-UHFFFAOYSA-N
XLogP10.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.61
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
2-(4-ethoxy-2,3-difluorophenyl)selenophene
CID 59456301
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
CID 143775720
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde
CID 143775739
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene
CID 59874030
1-dodecoxy-4-[4-(4-dodecylphenyl)phenyl]-2,3-difluorobenzene
CID 54324637

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene?
The IUPAC name of 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene (CID 159572686) is 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene.
What is the SMILES notation for 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene?
The canonical SMILES for 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene is CCCOc1ccc(-c2ccc(-c3ccc(C)[se]3)cc2)c(F)c1F.CCCOc1ccc(-c2ccc(-c3ccc[se]3)cc2)c(F)c1F.
What is the InChIKey of 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene?
The InChIKey is MIACXHYNPJFXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2OSe.C19H16F2OSe/c1-3-12-23-17-10-9-16(19(21)20(17)22)14-5-7-15(8-6-14)18-11-4-13(2)24-18;1-2-11-22-16-10-9-15(18(20)19(16)21)13-5-7-14(8-6-13)17-4-3-12-23-17/h4-11H,3,12H2,1-2H3;3-10,12H,2,11H2,1H3.
What are the key properties of 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene?
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene has a molecular weight of 768.61 g/mol, XLogP of 10.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-methylselenophene;2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]selenophene is sourced from PubChem (CID 159572686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).