2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran

C17H18O — CID 69108447

IUPAC2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1ccc(-c2cc(C)cc3c2OC(C)C3)cc1
InChIInChI=1S/C17H18O/c1-11-4-6-14(7-5-11)16-9-12(2)8-15-10-13(3)18-17(15)16/h4-9,13H,10H2,1-3H3
InChIKeyLBFZWAKBNCTMBN-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.29
Rot. Bonds1

About 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran

2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran (PubChem CID 69108447) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
PubChem CID69108447
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
SMILESCc1ccc(-c2cc(C)cc3c2OC(C)C3)cc1
InChIInChI=1S/C17H18O/c1-11-4-6-14(7-5-11)16-9-12(2)8-15-10-13(3)18-17(15)16/h4-9,13H,10H2,1-3H3
InChIKeyLBFZWAKBNCTMBN-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran (CID 69108447) is 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran is Cc1ccc(-c2cc(C)cc3c2OC(C)C3)cc1.
What is the InChIKey of 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran?
The InChIKey is LBFZWAKBNCTMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-11-4-6-14(7-5-11)16-9-12(2)8-15-10-13(3)18-17(15)16/h4-9,13H,10H2,1-3H3.
What are the key properties of 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran?
2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran has a molecular weight of 238.33 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69108447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).