(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one

C20H19NO3 — CID 71659072

IUPAC(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one
SMILESCOc1ccc(N2C(=O)/C(=C(/C)O)C=CC2c2ccccc2)cc1
InChIInChI=1S/C20H19NO3/c1-14(22)18-12-13-19(15-6-4-3-5-7-15)21(20(18)23)16-8-10-17(24-2)11-9-16/h3-13,19,22H,1-2H3/b18-14-
InChIKeyWWNYZQDJYWGCOR-JXAWBTAJSA-N
MW321.38 g/mol
LogP4.17
Rot. Bonds3

About (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one

(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one (PubChem CID 71659072) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one.

Molecular Properties

Compound Name(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one
PubChem CID71659072
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one
SMILESCOc1ccc(N2C(=O)/C(=C(/C)O)C=CC2c2ccccc2)cc1
InChIInChI=1S/C20H19NO3/c1-14(22)18-12-13-19(15-6-4-3-5-7-15)21(20(18)23)16-8-10-17(24-2)11-9-16/h3-13,19,22H,1-2H3/b18-14-
InChIKeyWWNYZQDJYWGCOR-JXAWBTAJSA-N
XLogP4.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one
CID 71659068
(5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one
CID 71659073
(3Z)-3-benzylidene-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10640985
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(3Z,4R)-1-(4-methoxyphenyl)-4-phenyl-3-prop-2-enylideneazetidin-2-one
CID 101494314
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 4623143
(5Z)-5-[(4-methoxyphenyl)methylidene]-1,1-dioxo-2,3-diphenyl-1,3-thiazolidin-4-one
CID 11836579
methyl (E)-3-[[1-(4-methoxyphenyl)-2-oxo-4-phenylazetidin-3-yl]amino]but-2-enoate
CID 70575634
(4E)-1-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108678546

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one?
The IUPAC name of (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one (CID 71659072) is (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one.
What is the SMILES notation for (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one?
The canonical SMILES for (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one is COc1ccc(N2C(=O)/C(=C(/C)O)C=CC2c2ccccc2)cc1.
What is the InChIKey of (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one?
The InChIKey is WWNYZQDJYWGCOR-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14(22)18-12-13-19(15-6-4-3-5-7-15)21(20(18)23)16-8-10-17(24-2)11-9-16/h3-13,19,22H,1-2H3/b18-14-.
What are the key properties of (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one?
(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one has a molecular weight of 321.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one is sourced from PubChem (CID 71659072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).