5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one

C17H17NO3S — CID 110017813

IUPAC5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one
SMILESCc1cccc(OCC(O)Cn2ccc3sccc3c2=O)c1
InChIInChI=1S/C17H17NO3S/c1-12-3-2-4-14(9-12)21-11-13(19)10-18-7-5-16-15(17(18)20)6-8-22-16/h2-9,13,19H,10-11H2,1H3
InChIKeyBCSJOEXHLVPCNC-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.81
Rot. Bonds5

About 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one

5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one (PubChem CID 110017813) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one
PubChem CID110017813
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one
SMILESCc1cccc(OCC(O)Cn2ccc3sccc3c2=O)c1
InChIInChI=1S/C17H17NO3S/c1-12-3-2-4-14(9-12)21-11-13(19)10-18-7-5-16-15(17(18)20)6-8-22-16/h2-9,13,19H,10-11H2,1H3
InChIKeyBCSJOEXHLVPCNC-UHFFFAOYSA-N
XLogP2.81
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 110884840
5-[3-(tert-butylamino)-2-hydroxypropyl]thieno[3,2-c]pyridin-4-one
CID 112557021
5-[2-hydroxy-3-(2-methylpropylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 112557026
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
3-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,2,3-benzotriazin-4-one
CID 26003668
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
CID 109411455
3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-6-methylquinazolin-4-one
CID 51119555
5-(ethoxymethyl)thieno[3,2-c]pyridin-4-one
CID 104599398
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
5-[2-(bromomethyl)-3,3-dimethylbutyl]thieno[3,2-c]pyridin-4-one
CID 112557005
1-(2,6-dimethylpiperidin-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 4728819

Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one (CID 110017813) is 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one is Cc1cccc(OCC(O)Cn2ccc3sccc3c2=O)c1.
What is the InChIKey of 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is BCSJOEXHLVPCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-12-3-2-4-14(9-12)21-11-13(19)10-18-7-5-16-15(17(18)20)6-8-22-16/h2-9,13,19H,10-11H2,1H3.
What are the key properties of 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one?
5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 315.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(3-methylphenoxy)propyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 110017813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).