1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone

C24H18O4 — CID 177499752

IUPAC1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc2c(-c3ccccc3)cc(C(=O)c3ccccc3O)cc12
InChIInChI=1S/C24H18O4/c1-14(25)22-15(2)28-24-19(16-8-4-3-5-9-16)12-17(13-20(22)24)23(27)18-10-6-7-11-21(18)26/h3-13,26H,1-2H3
InChIKeyVMRBWUDUEGYSGS-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.55
Rot. Bonds4

About 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone

1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone (PubChem CID 177499752) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone
PubChem CID177499752
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc2c(-c3ccccc3)cc(C(=O)c3ccccc3O)cc12
InChIInChI=1S/C24H18O4/c1-14(25)22-15(2)28-24-19(16-8-4-3-5-9-16)12-17(13-20(22)24)23(27)18-10-6-7-11-21(18)26/h3-13,26H,1-2H3
InChIKeyVMRBWUDUEGYSGS-UHFFFAOYSA-N
XLogP5.55
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone?
The IUPAC name of 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone (CID 177499752) is 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone is CC(=O)c1c(C)oc2c(-c3ccccc3)cc(C(=O)c3ccccc3O)cc12.
What is the InChIKey of 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone?
The InChIKey is VMRBWUDUEGYSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-14(25)22-15(2)28-24-19(16-8-4-3-5-9-16)12-17(13-20(22)24)23(27)18-10-6-7-11-21(18)26/h3-13,26H,1-2H3.
What are the key properties of 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone?
1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone has a molecular weight of 370.40 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxybenzoyl)-2-methyl-7-phenyl-1-benzofuran-3-yl]ethanone is sourced from PubChem (CID 177499752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).