1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol

C19H25NO3S — CID 42919233

IUPAC1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol
SMILESCOc1ccc(COCC(O)CN2CCc3sccc3C2C)cc1
InChIInChI=1S/C19H25NO3S/c1-14-18-8-10-24-19(18)7-9-20(14)11-16(21)13-23-12-15-3-5-17(22-2)6-4-15/h3-6,8,10,14,16,21H,7,9,11-13H2,1-2H3
InChIKeyJTPCBFNAABBCTR-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.25
Rot. Bonds7

About 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol

1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol (PubChem CID 42919233) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol
PubChem CID42919233
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol
SMILESCOc1ccc(COCC(O)CN2CCc3sccc3C2C)cc1
InChIInChI=1S/C19H25NO3S/c1-14-18-8-10-24-19(18)7-9-20(14)11-16(21)13-23-12-15-3-5-17(22-2)6-4-15/h3-6,8,10,14,16,21H,7,9,11-13H2,1-2H3
InChIKeyJTPCBFNAABBCTR-UHFFFAOYSA-N
XLogP3.25
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 100841540
methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate
CID 54939954
(2S)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94391754
2-[4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenoxy]ethanol
CID 51500187
5-[(2-bromo-5-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 65326163
(2S,4S)-4-fluoro-1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyrrolidine-2-carboxylic acid
CID 167853417
(1S)-1-(2-fluorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanol
CID 34192578
2-ethoxy-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 63068667
(2R)-1-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylmethoxypropan-2-ol
CID 25339475
1-(4-methoxyphenyl)-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]tetrazole-5-thione
CID 9321093
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 51683410
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol?
The IUPAC name of 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol (CID 42919233) is 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol.
What is the SMILES notation for 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol?
The canonical SMILES for 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol is COc1ccc(COCC(O)CN2CCc3sccc3C2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol?
The InChIKey is JTPCBFNAABBCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-14-18-8-10-24-19(18)7-9-20(14)11-16(21)13-23-12-15-3-5-17(22-2)6-4-15/h3-6,8,10,14,16,21H,7,9,11-13H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol?
1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol has a molecular weight of 347.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methoxy]-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-2-ol is sourced from PubChem (CID 42919233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).