1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one

C15H16O2 — CID 131751498

IUPAC1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one
SMILESCc1cc2occ(C)c2c2c1CCC(C)C2=O
InChIInChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-12-13(10(3)7-17-12)14(11)15(8)16/h6-8H,4-5H2,1-3H3
InChIKeyYBJIFGYQRRWWFW-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.81
Rot. Bonds

About 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one

1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one (PubChem CID 131751498) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one.

Molecular Properties

Compound Name1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one
PubChem CID131751498
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one
SMILESCc1cc2occ(C)c2c2c1CCC(C)C2=O
InChIInChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-12-13(10(3)7-17-12)14(11)15(8)16/h6-8H,4-5H2,1-3H3
InChIKeyYBJIFGYQRRWWFW-UHFFFAOYSA-N
XLogP3.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one?
The IUPAC name of 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one (CID 131751498) is 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one.
What is the SMILES notation for 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one?
The canonical SMILES for 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one is Cc1cc2occ(C)c2c2c1CCC(C)C2=O.
What is the InChIKey of 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one?
The InChIKey is YBJIFGYQRRWWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-8-4-5-11-9(2)6-12-13(10(3)7-17-12)14(11)15(8)16/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one?
1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one has a molecular weight of 228.29 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8-trimethyl-7,8-dihydro-6H-benzo[e][1]benzofuran-9-one is sourced from PubChem (CID 131751498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).