4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one

C20H15NO3S — CID 54689835

IUPAC4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1cc(O)c2c(-c3ccc(OCc4ccccc4)cc3)csc2[nH]1
InChIInChI=1S/C20H15NO3S/c22-17-10-18(23)21-20-19(17)16(12-25-20)14-6-8-15(9-7-14)24-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,21,22,23)
InChIKeyZFWUUKHOWIHUFJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.54
Rot. Bonds4

About 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one

4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 54689835) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID54689835
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESO=c1cc(O)c2c(-c3ccc(OCc4ccccc4)cc3)csc2[nH]1
InChIInChI=1S/C20H15NO3S/c22-17-10-18(23)21-20-19(17)16(12-25-20)14-6-8-15(9-7-14)24-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,21,22,23)
InChIKeyZFWUUKHOWIHUFJ-UHFFFAOYSA-N
XLogP4.54
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-phenylmethoxyphenol
CID 123808909
4-hydroxy-3-(5-methoxy-2-phenylmethoxyphenyl)-5-phenyl-7H-thieno[2,3-b]pyridin-6-one
CID 66936591
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
phenoxymethylbenzene;2-phenylphenol
CID 159234068
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
3,5-dihydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 12775837
4-(2-nitro-4-phenylmethoxyphenyl)phenol
CID 66934266
2-(4-hydroxyphenyl)-4-phenylmethoxybenzenesulfinate
CID 174520543
5-(4-methylphenyl)-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2415818
N-[4-fluoro-2-(4-phenylmethoxyphenyl)phenyl]-N-methylformamide
CID 167513611
4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
CID 102320796

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one (CID 54689835) is 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is O=c1cc(O)c2c(-c3ccc(OCc4ccccc4)cc3)csc2[nH]1.
What is the InChIKey of 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is ZFWUUKHOWIHUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c22-17-10-18(23)21-20-19(17)16(12-25-20)14-6-8-15(9-7-14)24-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,21,22,23).
What are the key properties of 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one?
4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 349.41 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-phenylmethoxyphenyl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 54689835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).