5,7-di(propan-2-yl)-1-benzofuran

C14H18O — CID 58779354

IUPAC5,7-di(propan-2-yl)-1-benzofuran
SMILESCC(C)c1cc(C(C)C)c2occc2c1
InChIInChI=1S/C14H18O/c1-9(2)12-7-11-5-6-15-14(11)13(8-12)10(3)4/h5-10H,1-4H3
InChIKeyQSYNWIIYZZNVJM-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.68
Rot. Bonds2

About 5,7-di(propan-2-yl)-1-benzofuran

5,7-di(propan-2-yl)-1-benzofuran (PubChem CID 58779354) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)-1-benzofuran.

Molecular Properties

Compound Name5,7-di(propan-2-yl)-1-benzofuran
PubChem CID58779354
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name5,7-di(propan-2-yl)-1-benzofuran
SMILESCC(C)c1cc(C(C)C)c2occc2c1
InChIInChI=1S/C14H18O/c1-9(2)12-7-11-5-6-15-14(11)13(8-12)10(3)4/h5-10H,1-4H3
InChIKeyQSYNWIIYZZNVJM-UHFFFAOYSA-N
XLogP4.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)-1-benzofuran?
The IUPAC name of 5,7-di(propan-2-yl)-1-benzofuran (CID 58779354) is 5,7-di(propan-2-yl)-1-benzofuran.
What is the SMILES notation for 5,7-di(propan-2-yl)-1-benzofuran?
The canonical SMILES for 5,7-di(propan-2-yl)-1-benzofuran is CC(C)c1cc(C(C)C)c2occc2c1.
What is the InChIKey of 5,7-di(propan-2-yl)-1-benzofuran?
The InChIKey is QSYNWIIYZZNVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-9(2)12-7-11-5-6-15-14(11)13(8-12)10(3)4/h5-10H,1-4H3.
What are the key properties of 5,7-di(propan-2-yl)-1-benzofuran?
5,7-di(propan-2-yl)-1-benzofuran has a molecular weight of 202.30 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)-1-benzofuran is sourced from PubChem (CID 58779354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).