1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol

C17H21NO3 — CID 71254072

IUPAC1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol
SMILESCc1cc(C)c(OCC(O)COc2ccccn2)c(C)c1
InChIInChI=1S/C17H21NO3/c1-12-8-13(2)17(14(3)9-12)21-11-15(19)10-20-16-6-4-5-7-18-16/h4-9,15,19H,10-11H2,1-3H3
InChIKeyGTCHAEQKKCUHMU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.83
Rot. Bonds6

About 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol

1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol (PubChem CID 71254072) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol
PubChem CID71254072
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol
SMILESCc1cc(C)c(OCC(O)COc2ccccn2)c(C)c1
InChIInChI=1S/C17H21NO3/c1-12-8-13(2)17(14(3)9-12)21-11-15(19)10-20-16-6-4-5-7-18-16/h4-9,15,19H,10-11H2,1-3H3
InChIKeyGTCHAEQKKCUHMU-UHFFFAOYSA-N
XLogP2.83
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol?
The IUPAC name of 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol (CID 71254072) is 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol is Cc1cc(C)c(OCC(O)COc2ccccn2)c(C)c1.
What is the InChIKey of 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol?
The InChIKey is GTCHAEQKKCUHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-8-13(2)17(14(3)9-12)21-11-15(19)10-20-16-6-4-5-7-18-16/h4-9,15,19H,10-11H2,1-3H3.
What are the key properties of 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol?
1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yloxy-3-(2,4,6-trimethylphenoxy)propan-2-ol is sourced from PubChem (CID 71254072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).