5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran

C18H20O — CID 69108472

IUPAC5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCCc1cc2c(c(-c3ccccc3C)c1)OC(C)C2
InChIInChI=1S/C18H20O/c1-4-14-10-15-9-13(3)19-18(15)17(11-14)16-8-6-5-7-12(16)2/h5-8,10-11,13H,4,9H2,1-3H3
InChIKeyYFPUTCSCAVUCQC-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.55
Rot. Bonds2

About 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran

5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran (PubChem CID 69108472) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran
PubChem CID69108472
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCCc1cc2c(c(-c3ccccc3C)c1)OC(C)C2
InChIInChI=1S/C18H20O/c1-4-14-10-15-9-13(3)19-18(15)17(11-14)16-8-6-5-7-12(16)2/h5-8,10-11,13H,4,9H2,1-3H3
InChIKeyYFPUTCSCAVUCQC-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran (CID 69108472) is 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran is CCc1cc2c(c(-c3ccccc3C)c1)OC(C)C2.
What is the InChIKey of 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is YFPUTCSCAVUCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-4-14-10-15-9-13(3)19-18(15)17(11-14)16-8-6-5-7-12(16)2/h5-8,10-11,13H,4,9H2,1-3H3.
What are the key properties of 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran?
5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 252.36 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69108472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).