3,3-dimethyl-1-phenyl-1H-2-benzofuran

C16H16O — CID 610622

IUPAC3,3-dimethyl-1-phenyl-1H-2-benzofuran
SMILESCC1(C)OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H16O/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12/h3-11,15H,1-2H3
InChIKeySYHQPEOPMMWDSW-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.04
Rot. Bonds1

About 3,3-dimethyl-1-phenyl-1H-2-benzofuran

3,3-dimethyl-1-phenyl-1H-2-benzofuran (PubChem CID 610622) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-phenyl-1H-2-benzofuran.

Molecular Properties

Compound Name3,3-dimethyl-1-phenyl-1H-2-benzofuran
PubChem CID610622
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3,3-dimethyl-1-phenyl-1H-2-benzofuran
SMILESCC1(C)OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C16H16O/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12/h3-11,15H,1-2H3
InChIKeySYHQPEOPMMWDSW-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-phenyl-1H-2-benzofuran?
The IUPAC name of 3,3-dimethyl-1-phenyl-1H-2-benzofuran (CID 610622) is 3,3-dimethyl-1-phenyl-1H-2-benzofuran.
What is the SMILES notation for 3,3-dimethyl-1-phenyl-1H-2-benzofuran?
The canonical SMILES for 3,3-dimethyl-1-phenyl-1H-2-benzofuran is CC1(C)OC(c2ccccc2)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-1-phenyl-1H-2-benzofuran?
The InChIKey is SYHQPEOPMMWDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-16(2)14-11-7-6-10-13(14)15(17-16)12-8-4-3-5-9-12/h3-11,15H,1-2H3.
What are the key properties of 3,3-dimethyl-1-phenyl-1H-2-benzofuran?
3,3-dimethyl-1-phenyl-1H-2-benzofuran has a molecular weight of 224.30 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-phenyl-1H-2-benzofuran is sourced from PubChem (CID 610622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).