1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol

C15H16FNO2S — CID 110905203

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol
SMILESCOc1ccc(C(O)CSc2ccc(C)cn2)cc1F
InChIInChI=1S/C15H16FNO2S/c1-10-3-6-15(17-8-10)20-9-13(18)11-4-5-14(19-2)12(16)7-11/h3-8,13,18H,9H2,1-2H3
InChIKeyNKEXDFDQJZLPDN-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.36
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol

1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol (PubChem CID 110905203) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol
PubChem CID110905203
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol
SMILESCOc1ccc(C(O)CSc2ccc(C)cn2)cc1F
InChIInChI=1S/C15H16FNO2S/c1-10-3-6-15(17-8-10)20-9-13(18)11-4-5-14(19-2)12(16)7-11/h3-8,13,18H,9H2,1-2H3
InChIKeyNKEXDFDQJZLPDN-UHFFFAOYSA-N
XLogP3.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
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2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453
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CID 83000611
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CID 83093152
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551
1-(3-fluoro-4-methoxyphenyl)-2-(2-methylimidazol-1-yl)ethanol
CID 110902796
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide
CID 71721752
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol (CID 110905203) is 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol is COc1ccc(C(O)CSc2ccc(C)cn2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol?
The InChIKey is NKEXDFDQJZLPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-3-6-15(17-8-10)20-9-13(18)11-4-5-14(19-2)12(16)7-11/h3-8,13,18H,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol?
1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol has a molecular weight of 293.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-[(5-methyl-2-pyridinyl)sulfanyl]ethanol is sourced from PubChem (CID 110905203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).