1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one

C19H19FN2O2 — CID 165014628

IUPAC1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one
SMILESCc1cc(/C=C/c2ccc(N3CCCNC3=O)cc2)cc(F)c1O
InChIInChI=1S/C19H19FN2O2/c1-13-11-15(12-17(20)18(13)23)4-3-14-5-7-16(8-6-14)22-10-2-9-21-19(22)24/h3-8,11-12,23H,2,9-10H2,1H3,(H,21,24)/b4-3+
InChIKeyZNFGLSQSAJHPBT-ONEGZZNKSA-N
MW326.37 g/mol
LogP3.93
Rot. Bonds3

About 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one

1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one (PubChem CID 165014628) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one
PubChem CID165014628
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one
SMILESCc1cc(/C=C/c2ccc(N3CCCNC3=O)cc2)cc(F)c1O
InChIInChI=1S/C19H19FN2O2/c1-13-11-15(12-17(20)18(13)23)4-3-14-5-7-16(8-6-14)22-10-2-9-21-19(22)24/h3-8,11-12,23H,2,9-10H2,1H3,(H,21,24)/b4-3+
InChIKeyZNFGLSQSAJHPBT-ONEGZZNKSA-N
XLogP3.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one (CID 165014628) is 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one is Cc1cc(/C=C/c2ccc(N3CCCNC3=O)cc2)cc(F)c1O.
What is the InChIKey of 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one?
The InChIKey is ZNFGLSQSAJHPBT-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-11-15(12-17(20)18(13)23)4-3-14-5-7-16(8-6-14)22-10-2-9-21-19(22)24/h3-8,11-12,23H,2,9-10H2,1H3,(H,21,24)/b4-3+.
What are the key properties of 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one?
1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one has a molecular weight of 326.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(3-fluoro-4-hydroxy-5-methylphenyl)ethenyl]phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 165014628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).