3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one

C18H18O2 — CID 91664984

IUPAC3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one
SMILESCc1cc(C)c2c(c1C)C(Cc1ccccc1)OC2=O
InChIInChI=1S/C18H18O2/c1-11-9-12(2)16-17(13(11)3)15(20-18(16)19)10-14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3
InChIKeyCYPGKPKEHNTVMT-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.07
Rot. Bonds2

About 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one

3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one (PubChem CID 91664984) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one
PubChem CID91664984
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one
SMILESCc1cc(C)c2c(c1C)C(Cc1ccccc1)OC2=O
InChIInChI=1S/C18H18O2/c1-11-9-12(2)16-17(13(11)3)15(20-18(16)19)10-14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3
InChIKeyCYPGKPKEHNTVMT-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one (CID 91664984) is 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one is Cc1cc(C)c2c(c1C)C(Cc1ccccc1)OC2=O.
What is the InChIKey of 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one?
The InChIKey is CYPGKPKEHNTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-11-9-12(2)16-17(13(11)3)15(20-18(16)19)10-14-7-5-4-6-8-14/h4-9,15H,10H2,1-3H3.
What are the key properties of 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one?
3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one has a molecular weight of 266.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,5,7-trimethyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 91664984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).