4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide

C16H14N2O4 — CID 118712432

IUPAC4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccc(O)cc1)NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H14N2O4/c19-13-6-1-11(2-7-13)3-10-15(21)17-18-16(22)12-4-8-14(20)9-5-12/h1-10,19-20H,(H,17,21)(H,18,22)/b10-3+
InChIKeyLZHGKZAPUBBMOM-XCVCLJGOSA-N
MW298.30 g/mol
LogP1.57
Rot. Bonds3

About 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide

4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 118712432) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide
PubChem CID118712432
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1ccc(O)cc1)NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C16H14N2O4/c19-13-6-1-11(2-7-13)3-10-15(21)17-18-16(22)12-4-8-14(20)9-5-12/h1-10,19-20H,(H,17,21)(H,18,22)/b10-3+
InChIKeyLZHGKZAPUBBMOM-XCVCLJGOSA-N
XLogP1.57
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide (CID 118712432) is 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1ccc(O)cc1)NNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is LZHGKZAPUBBMOM-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-13-6-1-11(2-7-13)3-10-15(21)17-18-16(22)12-4-8-14(20)9-5-12/h1-10,19-20H,(H,17,21)(H,18,22)/b10-3+.
What are the key properties of 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide?
4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 298.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 118712432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).