1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol

C15H17NO2S — CID 64667045

IUPAC1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol
SMILESCOc1cccc(CSc2cccc(C(C)O)c2)n1
InChIInChI=1S/C15H17NO2S/c1-11(17)12-5-3-7-14(9-12)19-10-13-6-4-8-15(16-13)18-2/h3-9,11,17H,10H2,1-2H3
InChIKeyGUWYIBQPTJWYGL-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.44
Rot. Bonds5

About 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol

1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol (PubChem CID 64667045) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol
PubChem CID64667045
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol
SMILESCOc1cccc(CSc2cccc(C(C)O)c2)n1
InChIInChI=1S/C15H17NO2S/c1-11(17)12-5-3-7-14(9-12)19-10-13-6-4-8-15(16-13)18-2/h3-9,11,17H,10H2,1-2H3
InChIKeyGUWYIBQPTJWYGL-UHFFFAOYSA-N
XLogP3.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-methoxy-2-pyridinyl)methylsulfanyl]-2-methylaniline
CID 79148098
[4-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 113384726
1-[3-(pyrimidin-2-ylmethylsulfanyl)phenyl]ethanol
CID 64664474
1-[3-[(2-methoxy-5-methylphenyl)methylsulfanyl]phenyl]ethanol
CID 64666153
1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol
CID 64664899
1-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanol
CID 115334609
1-[4-[(6-methyl-2-pyridinyl)methylsulfanyl]phenyl]ethanol
CID 79261075
1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
CID 105409441
(1R)-1-(3-propylsulfanylphenyl)ethanol
CID 96718323
1-[3-(1-hydroxyethyl)phenyl]sulfanyl-3-propan-2-yloxypropan-2-ol
CID 64665099
1-[3-(2-methylidenebutylsulfanyl)phenyl]ethanol
CID 66038314
1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
CID 64665733

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol (CID 64667045) is 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol is COc1cccc(CSc2cccc(C(C)O)c2)n1.
What is the InChIKey of 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol?
The InChIKey is GUWYIBQPTJWYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(17)12-5-3-7-14(9-12)19-10-13-6-4-8-15(16-13)18-2/h3-9,11,17H,10H2,1-2H3.
What are the key properties of 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol?
1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol has a molecular weight of 275.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methoxy-2-pyridinyl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 64667045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).