5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran

C21H24O2 — CID 142170058

IUPAC5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran
SMILESCOc1c(-c2ccc3occc3c2)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C21H24O2/c1-13(2)17-11-18(14(3)4)21(22-5)19(12-17)15-6-7-20-16(10-15)8-9-23-20/h6-14H,1-5H3
InChIKeyFNBGWZUHGGIQLI-UHFFFAOYSA-N
MW308.42 g/mol
LogP6.36
Rot. Bonds4

About 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran

5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran (PubChem CID 142170058) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran.

Molecular Properties

Compound Name5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran
PubChem CID142170058
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran
SMILESCOc1c(-c2ccc3occc3c2)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C21H24O2/c1-13(2)17-11-18(14(3)4)21(22-5)19(12-17)15-6-7-20-16(10-15)8-9-23-20/h6-14H,1-5H3
InChIKeyFNBGWZUHGGIQLI-UHFFFAOYSA-N
XLogP6.36
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran?
The IUPAC name of 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran (CID 142170058) is 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran.
What is the SMILES notation for 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran?
The canonical SMILES for 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran is COc1c(-c2ccc3occc3c2)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran?
The InChIKey is FNBGWZUHGGIQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-13(2)17-11-18(14(3)4)21(22-5)19(12-17)15-6-7-20-16(10-15)8-9-23-20/h6-14H,1-5H3.
What are the key properties of 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran?
5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran has a molecular weight of 308.42 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-3,5-di(propan-2-yl)phenyl]-1-benzofuran is sourced from PubChem (CID 142170058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).