5-benzyl-2-methyl-2,3-dihydro-1-benzofuran

C16H16O — CID 173314899

IUPAC5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cc(Cc3ccccc3)ccc2O1
InChIInChI=1S/C16H16O/c1-12-9-15-11-14(7-8-16(15)17-12)10-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChIKeyBHQVMLJBZWCCHC-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.60
Rot. Bonds2

About 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran

5-benzyl-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 173314899) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID173314899
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cc(Cc3ccccc3)ccc2O1
InChIInChI=1S/C16H16O/c1-12-9-15-11-14(7-8-16(15)17-12)10-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChIKeyBHQVMLJBZWCCHC-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran (CID 173314899) is 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran is CC1Cc2cc(Cc3ccccc3)ccc2O1.
What is the InChIKey of 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is BHQVMLJBZWCCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12-9-15-11-14(7-8-16(15)17-12)10-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran?
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 224.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 173314899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).