4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one

C23H17NO3 — CID 144723574

IUPAC4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one
SMILESC=C1OC(=O)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1O
InChIInChI=1S/C23H17NO3/c1-16-22(25)21(23(26)27-16)17-12-14-20(15-13-17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,25H,1H2
InChIKeyMBGGBPVXAPYDTR-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.50
Rot. Bonds4

About 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one

4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one (PubChem CID 144723574) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one
PubChem CID144723574
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one
SMILESC=C1OC(=O)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1O
InChIInChI=1S/C23H17NO3/c1-16-22(25)21(23(26)27-16)17-12-14-20(15-13-17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,25H,1H2
InChIKeyMBGGBPVXAPYDTR-UHFFFAOYSA-N
XLogP5.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one?
The IUPAC name of 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one (CID 144723574) is 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one.
What is the SMILES notation for 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one?
The canonical SMILES for 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one is C=C1OC(=O)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1O.
What is the InChIKey of 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one?
The InChIKey is MBGGBPVXAPYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-16-22(25)21(23(26)27-16)17-12-14-20(15-13-17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,25H,1H2.
What are the key properties of 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one?
4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one has a molecular weight of 355.39 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methylidene-3-[4-(N-phenylanilino)phenyl]furan-2-one is sourced from PubChem (CID 144723574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).