2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran

C19H22O — CID 23113833

IUPAC2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran
SMILESCC(C)c1ccc(C2c3ccccc3OC2(C)C)cc1
InChIInChI=1S/C19H22O/c1-13(2)14-9-11-15(12-10-14)18-16-7-5-6-8-17(16)20-19(18,3)4/h5-13,18H,1-4H3
InChIKeySNOVXTKHVIUJKM-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.11
Rot. Bonds2

About 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran

2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran (PubChem CID 23113833) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran
PubChem CID23113833
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran
SMILESCC(C)c1ccc(C2c3ccccc3OC2(C)C)cc1
InChIInChI=1S/C19H22O/c1-13(2)14-9-11-15(12-10-14)18-16-7-5-6-8-17(16)20-19(18,3)4/h5-13,18H,1-4H3
InChIKeySNOVXTKHVIUJKM-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran?
The IUPAC name of 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran (CID 23113833) is 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran.
What is the SMILES notation for 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran?
The canonical SMILES for 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran is CC(C)c1ccc(C2c3ccccc3OC2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran?
The InChIKey is SNOVXTKHVIUJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13(2)14-9-11-15(12-10-14)18-16-7-5-6-8-17(16)20-19(18,3)4/h5-13,18H,1-4H3.
What are the key properties of 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran?
2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran has a molecular weight of 266.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran is sourced from PubChem (CID 23113833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).