2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one

C18H16ClNO4 — CID 151869992

IUPAC2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one
SMILESO=C1C=CCN(O)C1COc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO4/c19-13-3-5-15(6-4-13)24-16-9-7-14(8-10-16)23-12-17-18(21)2-1-11-20(17)22/h1-10,17,22H,11-12H2
InChIKeySMMDQYGYVZQZCM-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.71
Rot. Bonds5

About 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one

2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one (PubChem CID 151869992) has the molecular formula C18H16ClNO4 and a molecular weight of 345.78 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one
PubChem CID151869992
Molecular FormulaC18H16ClNO4
Molecular Weight345.78 g/mol
Exact Mass345.08
IUPAC Name2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one
SMILESO=C1C=CCN(O)C1COc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO4/c19-13-3-5-15(6-4-13)24-16-9-7-14(8-10-16)23-12-17-18(21)2-1-11-20(17)22/h1-10,17,22H,11-12H2
InChIKeySMMDQYGYVZQZCM-UHFFFAOYSA-N
XLogP3.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 44819169
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
(3aR,7aR)-2-[2-(4-chlorophenoxy)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 126383749
3-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]propanoic acid
CID 68998465
tert-butyl 2-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]acetate
CID 68999684
methyl 3-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]piperidin-1-yl]propanoate
CID 69048046
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043
methyl 4-[2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]butanoate
CID 68999256
(2R)-2-[(4-chlorophenoxy)methyl]thiirane
CID 28660438
2,2-bis[[4-(4-chlorophenoxy)phenoxy]methyl]oxirane
CID 13295572
4-[(2S)-2-[[4-(4-chlorophenoxy)phenoxy]methyl]pyrrolidin-1-yl]butanoic acid;hydrochloride
CID 44818987
4-(4-chlorophenoxy)-N-(1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl)benzenesulfonamide
CID 24852135

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one?
The IUPAC name of 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one (CID 151869992) is 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one.
What is the SMILES notation for 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one?
The canonical SMILES for 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one is O=C1C=CCN(O)C1COc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one?
The InChIKey is SMMDQYGYVZQZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4/c19-13-3-5-15(6-4-13)24-16-9-7-14(8-10-16)23-12-17-18(21)2-1-11-20(17)22/h1-10,17,22H,11-12H2.
What are the key properties of 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one?
2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one has a molecular weight of 345.78 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-2,6-dihydropyridin-3-one is sourced from PubChem (CID 151869992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).