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

C21H21NO4 — CID 71659068

IUPAC(5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one
SMILESCOc1ccc(C2C=C/C(=C(\C)O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-14(23)19-12-13-20(15-4-8-17(25-2)9-5-15)22(21(19)24)16-6-10-18(26-3)11-7-16/h4-13,20,23H,1-3H3/b19-14-
InChIKeyNQJNYNZWFXSDKY-RGEXLXHISA-N
MW351.40 g/mol
LogP4.18
Rot. Bonds4

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

(5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one (PubChem CID 71659068) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is (5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one.

Molecular Properties

Compound Name(5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one
PubChem CID71659068
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name(5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one
SMILESCOc1ccc(C2C=C/C(=C(\C)O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-14(23)19-12-13-20(15-4-8-17(25-2)9-5-15)22(21(19)24)16-6-10-18(26-3)11-7-16/h4-13,20,23H,1-3H3/b19-14-
InChIKeyNQJNYNZWFXSDKY-RGEXLXHISA-N
XLogP4.18
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one
CID 71659072
(5Z)-5-(1-hydroxyethylidene)-1,2-diphenyl-2H-pyridin-6-one
CID 71659073
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3244527
4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 2875789
(2R)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 1075189
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 2868511
(3E)-1,4-bis(4-methoxyphenyl)-3-prop-2-enylideneazetidin-2-one
CID 100929846
2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one
CID 5031264
(4E,5S)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 98377511

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one?
The IUPAC name of (5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one (CID 71659068) is (5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one.
What is the SMILES notation for (5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one?
The canonical SMILES for (5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one is COc1ccc(C2C=C/C(=C(\C)O)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one?
The InChIKey is NQJNYNZWFXSDKY-RGEXLXHISA-N. The full InChI is InChI=1S/C21H21NO4/c1-14(23)19-12-13-20(15-4-8-17(25-2)9-5-15)22(21(19)24)16-6-10-18(26-3)11-7-16/h4-13,20,23H,1-3H3/b19-14-.
What are the key properties of (5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one?
(5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one has a molecular weight of 351.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-hydroxyethylidene)-1,2-bis(4-methoxyphenyl)-2H-pyridin-6-one is sourced from PubChem (CID 71659068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).