2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one

C19H18N2O3 — CID 68739720

IUPAC2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one
SMILESCOc1cc(C=Cc2ccc(N3N=C(C)CC3=O)cc2)ccc1O
InChIInChI=1S/C19H18N2O3/c1-13-11-19(23)21(20-13)16-8-5-14(6-9-16)3-4-15-7-10-17(22)18(12-15)24-2/h3-10,12,22H,11H2,1-2H3
InChIKeyKRMXKUSDFPLDTL-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.68
Rot. Bonds4

About 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one

2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one (PubChem CID 68739720) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one
PubChem CID68739720
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one
SMILESCOc1cc(C=Cc2ccc(N3N=C(C)CC3=O)cc2)ccc1O
InChIInChI=1S/C19H18N2O3/c1-13-11-19(23)21(20-13)16-8-5-14(6-9-16)3-4-15-7-10-17(22)18(12-15)24-2/h3-10,12,22H,11H2,1-2H3
InChIKeyKRMXKUSDFPLDTL-UHFFFAOYSA-N
XLogP3.68
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one
CID 68740039
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one;hydrate;dihydrochloride
CID 74892069
2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one
CID 1201017
(3E)-1-(4-acetylphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 53369154
(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methyl-2-(3-methylphenyl)pyrazol-3-one
CID 135832962
3,4-dihydroxy-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one
CID 155758617
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl chloride
CID 10776232
(4Z)-2-(3-fluorophenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methylpyrazol-3-one
CID 135490373
5-hydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]cyclohexane-1,3-dione
CID 91078430

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one (CID 68739720) is 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one is COc1cc(C=Cc2ccc(N3N=C(C)CC3=O)cc2)ccc1O.
What is the InChIKey of 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one?
The InChIKey is KRMXKUSDFPLDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-11-19(23)21(20-13)16-8-5-14(6-9-16)3-4-15-7-10-17(22)18(12-15)24-2/h3-10,12,22H,11H2,1-2H3.
What are the key properties of 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one?
2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one has a molecular weight of 322.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 68739720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).