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

C14H14O2 — CID 13168907

IUPAC2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CC(c1ccccc1)O2
InChIInChI=1S/C14H14O2/c15-12-7-4-8-13-11(12)9-14(16-13)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2
InChIKeyDEUCGXOCVAFFPZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.16
Rot. Bonds1

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

2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (PubChem CID 13168907) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.

Molecular Properties

Compound Name2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
PubChem CID13168907
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
SMILESO=C1CCCC2=C1CC(c1ccccc1)O2
InChIInChI=1S/C14H14O2/c15-12-7-4-8-13-11(12)9-14(16-13)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2
InChIKeyDEUCGXOCVAFFPZ-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The IUPAC name of 2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one (CID 13168907) is 2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one.
What is the SMILES notation for 2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The canonical SMILES for 2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is O=C1CCCC2=C1CC(c1ccccc1)O2.
What is the InChIKey of 2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
The InChIKey is DEUCGXOCVAFFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-12-7-4-8-13-11(12)9-14(16-13)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2.
What are the key properties of 2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one?
2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one has a molecular weight of 214.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one is sourced from PubChem (CID 13168907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).