1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol

C14H15NO2S — CID 114057131

IUPAC1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
SMILESCOc1ccc(Sc2ncccc2C(C)O)cc1
InChIInChI=1S/C14H15NO2S/c1-10(16)13-4-3-9-15-14(13)18-12-7-5-11(17-2)6-8-12/h3-10,16H,1-2H3
InChIKeyUSDKADOSJIQVEJ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.29
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol

1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol (PubChem CID 114057131) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
PubChem CID114057131
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
SMILESCOc1ccc(Sc2ncccc2C(C)O)cc1
InChIInChI=1S/C14H15NO2S/c1-10(16)13-4-3-9-15-14(13)18-12-7-5-11(17-2)6-8-12/h3-10,16H,1-2H3
InChIKeyUSDKADOSJIQVEJ-UHFFFAOYSA-N
XLogP3.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 78952059
2-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114057606
(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057152
(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057147
2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol
CID 114057189
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
(1S)-1-(2-phenylsulfanyl-3-pyridinyl)ethanamine
CID 103695131
2-[[3-(1-hydroxyethyl)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 114057142
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 82972730
(1S)-1-[5-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 63813093
3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
CID 1471715

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol?
The IUPAC name of 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol (CID 114057131) is 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol is COc1ccc(Sc2ncccc2C(C)O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol?
The InChIKey is USDKADOSJIQVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10(16)13-4-3-9-15-14(13)18-12-7-5-11(17-2)6-8-12/h3-10,16H,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol?
1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol has a molecular weight of 261.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol is sourced from PubChem (CID 114057131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).