6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

C15H16O2 — CID 13168906

IUPAC6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESCC1CC(=O)C2=C(C1)OC(c1ccccc1)C2
InChIInChI=1S/C15H16O2/c1-10-7-13(16)12-9-14(17-15(12)8-10)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3
InChIKeyHTJLRPCQTZJCCI-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.40
Rot. Bonds1

About 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one

6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (PubChem CID 13168906) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
PubChem CID13168906
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESCC1CC(=O)C2=C(C1)OC(c1ccccc1)C2
InChIInChI=1S/C15H16O2/c1-10-7-13(16)12-9-14(17-15(12)8-10)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3
InChIKeyHTJLRPCQTZJCCI-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The IUPAC name of 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (CID 13168906) is 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.
What is the SMILES notation for 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The canonical SMILES for 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is CC1CC(=O)C2=C(C1)OC(c1ccccc1)C2.
What is the InChIKey of 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The InChIKey is HTJLRPCQTZJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-7-13(16)12-9-14(17-15(12)8-10)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3.
What are the key properties of 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one has a molecular weight of 228.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is sourced from PubChem (CID 13168906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).