6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one

C19H16ClNO4 — CID 70149683

IUPAC6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(CO)cc(COc2ccc(Oc3ccc(Cl)cc3)cc2)[nH]1
InChIInChI=1S/C19H16ClNO4/c20-14-1-3-17(4-2-14)25-18-7-5-16(6-8-18)24-12-15-9-13(11-22)10-19(23)21-15/h1-10,22H,11-12H2,(H,21,23)
InChIKeySWOWDPANOBAJAA-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.89
Rot. Bonds6

About 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one

6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 70149683) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID70149683
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(CO)cc(COc2ccc(Oc3ccc(Cl)cc3)cc2)[nH]1
InChIInChI=1S/C19H16ClNO4/c20-14-1-3-17(4-2-14)25-18-7-5-16(6-8-18)24-12-15-9-13(11-22)10-19(23)21-15/h1-10,22H,11-12H2,(H,21,23)
InChIKeySWOWDPANOBAJAA-UHFFFAOYSA-N
XLogP3.89
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
2,6-dichloro-4-(4-chlorophenoxy)phenol
CID 21278927
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
3-methyl-4-[4-[(4-methyl-6-oxo-1H-pyridin-2-yl)methoxy]phenyl]-4-oxobutanoic acid
CID 70392813
2-bromo-5-[(4-chlorophenoxy)methyl]-1H-imidazole
CID 117191551
5-(4-chlorophenoxy)benzene-1,3-diol
CID 123195227
[4-[(5-chloro-2-nitrophenyl)methoxy]phenyl]methanol
CID 79214399
4-[4-(4-chlorophenoxy)phenyl]but-3-yn-1-ol
CID 21322277
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
CID 66738685
2-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridine-4-carboxylic acid
CID 71212307
2-(4-chlorophenoxy)acetyl iodide
CID 134255037

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one (CID 70149683) is 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one is O=c1cc(CO)cc(COc2ccc(Oc3ccc(Cl)cc3)cc2)[nH]1.
What is the InChIKey of 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is SWOWDPANOBAJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c20-14-1-3-17(4-2-14)25-18-7-5-16(6-8-18)24-12-15-9-13(11-22)10-19(23)21-15/h1-10,22H,11-12H2,(H,21,23).
What are the key properties of 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one?
6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 357.79 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-chlorophenoxy)phenoxy]methyl]-4-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 70149683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).