ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran

C22H30O3 — CID 142256355

IUPACethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
SMILESC.CC.CCCc1cc(OC)cc2cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C19H20O3.C2H6.CH4/c1-4-5-14-10-17(21-3)11-15-12-18(22-19(14)15)13-6-8-16(20-2)9-7-13;1-2;/h6-12H,4-5H2,1-3H3;1-2H3;1H4
InChIKeyLONLEKAYALBLMS-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.73
Rot. Bonds5

About ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran

ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran (PubChem CID 142256355) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran.

Molecular Properties

Compound Nameethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
PubChem CID142256355
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Nameethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
SMILESC.CC.CCCc1cc(OC)cc2cc(-c3ccc(OC)cc3)oc12
InChIInChI=1S/C19H20O3.C2H6.CH4/c1-4-5-14-10-17(21-3)11-15-12-18(22-19(14)15)13-6-8-16(20-2)9-7-13;1-2;/h6-12H,4-5H2,1-3H3;1-2H3;1H4
InChIKeyLONLEKAYALBLMS-UHFFFAOYSA-N
XLogP6.73
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran?
The IUPAC name of ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran (CID 142256355) is ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran.
What is the SMILES notation for ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran?
The canonical SMILES for ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran is C.CC.CCCc1cc(OC)cc2cc(-c3ccc(OC)cc3)oc12.
What is the InChIKey of ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran?
The InChIKey is LONLEKAYALBLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3.C2H6.CH4/c1-4-5-14-10-17(21-3)11-15-12-18(22-19(14)15)13-6-8-16(20-2)9-7-13;1-2;/h6-12H,4-5H2,1-3H3;1-2H3;1H4.
What are the key properties of ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran?
ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran has a molecular weight of 342.48 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran is sourced from PubChem (CID 142256355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).