(1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol

C16H19NO4 — CID 97454379

IUPAC(1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol
SMILESCOc1ccc(-c2cccc([C@H](C)O)n2)c(OC)c1OC
InChIInChI=1S/C16H19NO4/c1-10(18)12-6-5-7-13(17-12)11-8-9-14(19-2)16(21-4)15(11)20-3/h5-10,18H,1-4H3/t10-/m0/s1
InChIKeyIPGPEBQSDNUXLX-JTQLQIEISA-N
MW289.33 g/mol
LogP2.83
Rot. Bonds5

About (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol

(1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol (PubChem CID 97454379) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol
PubChem CID97454379
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name(1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol
SMILESCOc1ccc(-c2cccc([C@H](C)O)n2)c(OC)c1OC
InChIInChI=1S/C16H19NO4/c1-10(18)12-6-5-7-13(17-12)11-8-9-14(19-2)16(21-4)15(11)20-3/h5-10,18H,1-4H3/t10-/m0/s1
InChIKeyIPGPEBQSDNUXLX-JTQLQIEISA-N
XLogP2.83
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol (CID 97454379) is (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol is COc1ccc(-c2cccc([C@H](C)O)n2)c(OC)c1OC.
What is the InChIKey of (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol?
The InChIKey is IPGPEBQSDNUXLX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(18)12-6-5-7-13(17-12)11-8-9-14(19-2)16(21-4)15(11)20-3/h5-10,18H,1-4H3/t10-/m0/s1.
What are the key properties of (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol?
(1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol has a molecular weight of 289.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(2,3,4-trimethoxyphenyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 97454379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).