5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran

C20H22O2 — CID 102449947

IUPAC5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran
SMILESCCCc1cc(-c2ccc(OC)cc2)cc2c(C)c(C)oc12
InChIInChI=1S/C20H22O2/c1-5-6-16-11-17(15-7-9-18(21-4)10-8-15)12-19-13(2)14(3)22-20(16)19/h7-12H,5-6H2,1-4H3
InChIKeyWPCVMSNNGNUBMH-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.68
Rot. Bonds4

About 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran

5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran (PubChem CID 102449947) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran
PubChem CID102449947
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran
SMILESCCCc1cc(-c2ccc(OC)cc2)cc2c(C)c(C)oc12
InChIInChI=1S/C20H22O2/c1-5-6-16-11-17(15-7-9-18(21-4)10-8-15)12-19-13(2)14(3)22-20(16)19/h7-12H,5-6H2,1-4H3
InChIKeyWPCVMSNNGNUBMH-UHFFFAOYSA-N
XLogP5.68
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran?
The IUPAC name of 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran (CID 102449947) is 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran?
The canonical SMILES for 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran is CCCc1cc(-c2ccc(OC)cc2)cc2c(C)c(C)oc12.
What is the InChIKey of 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran?
The InChIKey is WPCVMSNNGNUBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-5-6-16-11-17(15-7-9-18(21-4)10-8-15)12-19-13(2)14(3)22-20(16)19/h7-12H,5-6H2,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran?
5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran has a molecular weight of 294.39 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,3-dimethyl-7-propyl-1-benzofuran is sourced from PubChem (CID 102449947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).