(1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol

C9H13NO2 — CID 124501692

IUPAC(1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol
SMILESCOc1cc(C)c([C@H](C)O)cn1
InChIInChI=1S/C9H13NO2/c1-6-4-9(12-3)10-5-8(6)7(2)11/h4-5,7,11H,1-3H3/t7-/m0/s1
InChIKeyGZXIQAWHKAQIJX-ZETCQYMHSA-N
MW167.21 g/mol
LogP1.45
Rot. Bonds2

About (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol

(1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol (PubChem CID 124501692) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol
PubChem CID124501692
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol
SMILESCOc1cc(C)c([C@H](C)O)cn1
InChIInChI=1S/C9H13NO2/c1-6-4-9(12-3)10-5-8(6)7(2)11/h4-5,7,11H,1-3H3/t7-/m0/s1
InChIKeyGZXIQAWHKAQIJX-ZETCQYMHSA-N
XLogP1.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol?
The IUPAC name of (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol (CID 124501692) is (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol?
The canonical SMILES for (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol is COc1cc(C)c([C@H](C)O)cn1.
What is the InChIKey of (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol?
The InChIKey is GZXIQAWHKAQIJX-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-4-9(12-3)10-5-8(6)7(2)11/h4-5,7,11H,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol?
(1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol has a molecular weight of 167.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 124501692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).