4-benzyl-6-methyl-2,3-dihydro-1-benzofuran

C16H16O — CID 146249900

IUPAC4-benzyl-6-methyl-2,3-dihydro-1-benzofuran
SMILESCc1cc(Cc2ccccc2)c2c(c1)OCC2
InChIInChI=1S/C16H16O/c1-12-9-14(11-13-5-3-2-4-6-13)15-7-8-17-16(15)10-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyXCKRICLEBQASAM-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.52
Rot. Bonds2

About 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran

4-benzyl-6-methyl-2,3-dihydro-1-benzofuran (PubChem CID 146249900) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-benzyl-6-methyl-2,3-dihydro-1-benzofuran
PubChem CID146249900
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name4-benzyl-6-methyl-2,3-dihydro-1-benzofuran
SMILESCc1cc(Cc2ccccc2)c2c(c1)OCC2
InChIInChI=1S/C16H16O/c1-12-9-14(11-13-5-3-2-4-6-13)15-7-8-17-16(15)10-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyXCKRICLEBQASAM-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(2-methoxyphenyl)-1H-indene
CID 44424412
Multicaulin
CID 467782
1-Ethoxynaphthalene
CID 21403
2,3,5-Trimethylanisole
CID 88555
3-Methyl-2,3-dihydro-1-benzofuran
CID 576907
9,10-Diethoxyanthracene
CID 111623
Magreth-19
CID 54592215
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CID 11973927

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran (CID 146249900) is 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran is Cc1cc(Cc2ccccc2)c2c(c1)OCC2.
What is the InChIKey of 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is XCKRICLEBQASAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12-9-14(11-13-5-3-2-4-6-13)15-7-8-17-16(15)10-12/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran?
4-benzyl-6-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 224.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 146249900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).