3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one

C24H23NO3 — CID 123489650

IUPAC3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one
SMILESO=C1OC(c2ccccc2)CC(O)C1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c26-20-16-21(17-10-4-1-5-11-17)28-24(27)22(20)23(18-12-6-2-7-13-18)25-19-14-8-3-9-15-19/h1-15,20-23,25-26H,16H2
InChIKeyQMKIPSXNXSLJKV-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.51
Rot. Bonds5

About 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one

3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one (PubChem CID 123489650) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one.

Molecular Properties

Compound Name3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one
PubChem CID123489650
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one
SMILESO=C1OC(c2ccccc2)CC(O)C1C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c26-20-16-21(17-10-4-1-5-11-17)28-24(27)22(20)23(18-12-6-2-7-13-18)25-19-14-8-3-9-15-19/h1-15,20-23,25-26H,16H2
InChIKeyQMKIPSXNXSLJKV-UHFFFAOYSA-N
XLogP4.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one?
The IUPAC name of 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one (CID 123489650) is 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one.
What is the SMILES notation for 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one?
The canonical SMILES for 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one is O=C1OC(c2ccccc2)CC(O)C1C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one?
The InChIKey is QMKIPSXNXSLJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c26-20-16-21(17-10-4-1-5-11-17)28-24(27)22(20)23(18-12-6-2-7-13-18)25-19-14-8-3-9-15-19/h1-15,20-23,25-26H,16H2.
What are the key properties of 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one?
3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one has a molecular weight of 373.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[anilino(phenyl)methyl]-4-hydroxy-6-phenyloxan-2-one is sourced from PubChem (CID 123489650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).