7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran

C18H20O — CID 69177692

IUPAC7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(-c3c(C)cccc3C)c1)OC(C)C2
InChIInChI=1S/C18H20O/c1-11-8-15-10-14(4)19-18(15)16(9-11)17-12(2)6-5-7-13(17)3/h5-9,14H,10H2,1-4H3
InChIKeyCXWWQKBQHYWITE-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.60
Rot. Bonds1

About 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran

7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran (PubChem CID 69177692) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
PubChem CID69177692
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(c(-c3c(C)cccc3C)c1)OC(C)C2
InChIInChI=1S/C18H20O/c1-11-8-15-10-14(4)19-18(15)16(9-11)17-12(2)6-5-7-13(17)3/h5-9,14H,10H2,1-4H3
InChIKeyCXWWQKBQHYWITE-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran (CID 69177692) is 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran is Cc1cc2c(c(-c3c(C)cccc3C)c1)OC(C)C2.
What is the InChIKey of 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is CXWWQKBQHYWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-11-8-15-10-14(4)19-18(15)16(9-11)17-12(2)6-5-7-13(17)3/h5-9,14H,10H2,1-4H3.
What are the key properties of 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran?
7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 252.36 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69177692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).