6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one

C17H18O2 — CID 14293193

IUPAC6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one
SMILESCc1ccc(-c2cc3c(o2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H18O2/c1-11-4-6-12(7-5-11)15-8-13-14(18)9-17(2,3)10-16(13)19-15/h4-8H,9-10H2,1-3H3
InChIKeyCYECOMHPIRFSPZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.41
Rot. Bonds1

About 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one

6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one (PubChem CID 14293193) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one
PubChem CID14293193
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one
SMILESCc1ccc(-c2cc3c(o2)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C17H18O2/c1-11-4-6-12(7-5-11)15-8-13-14(18)9-17(2,3)10-16(13)19-15/h4-8H,9-10H2,1-3H3
InChIKeyCYECOMHPIRFSPZ-UHFFFAOYSA-N
XLogP4.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one?
The IUPAC name of 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one (CID 14293193) is 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one.
What is the SMILES notation for 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one?
The canonical SMILES for 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one is Cc1ccc(-c2cc3c(o2)CC(C)(C)CC3=O)cc1.
What is the InChIKey of 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one?
The InChIKey is CYECOMHPIRFSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-11-4-6-12(7-5-11)15-8-13-14(18)9-17(2,3)10-16(13)19-15/h4-8H,9-10H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one?
6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one has a molecular weight of 254.33 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydro-1-benzofuran-4-one is sourced from PubChem (CID 14293193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).