3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one

C32H22O3 — CID 13303255

IUPAC3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1
InChIInChI=1S/C32H22O3/c33-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(34)35-31)24-19-11-4-12-20-24/h1-20,31,33H
InChIKeyCUPYCLCYNVELBJ-UHFFFAOYSA-N
MW454.53 g/mol
LogP7.52
Rot. Bonds4

About 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one

3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one (PubChem CID 13303255) has the molecular formula C32H22O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one
PubChem CID13303255
Molecular FormulaC32H22O3
Molecular Weight454.53 g/mol
Exact Mass454.16
IUPAC Name3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1
InChIInChI=1S/C32H22O3/c33-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(34)35-31)24-19-11-4-12-20-24/h1-20,31,33H
InChIKeyCUPYCLCYNVELBJ-UHFFFAOYSA-N
XLogP7.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one (CID 13303255) is 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one is O=C1OC(O)c2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1.
What is the InChIKey of 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one?
The InChIKey is CUPYCLCYNVELBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O3/c33-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(34)35-31)24-19-11-4-12-20-24/h1-20,31,33H.
What are the key properties of 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one?
3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one has a molecular weight of 454.53 g/mol, XLogP of 7.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 13303255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).