ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol

C17H23NO2 — CID 177219239

IUPACethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol
SMILESCC.Cc1ccc(Oc2cccc(C(C)(C)O)c2)cn1
InChIInChI=1S/C15H17NO2.C2H6/c1-11-7-8-14(10-16-11)18-13-6-4-5-12(9-13)15(2,3)17;1-2/h4-10,17H,1-3H3;1-2H3
InChIKeyMRMVCVBKROOAML-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.44
Rot. Bonds3

About ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol

ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol (PubChem CID 177219239) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol.

Molecular Properties

Compound Nameethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol
PubChem CID177219239
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol
SMILESCC.Cc1ccc(Oc2cccc(C(C)(C)O)c2)cn1
InChIInChI=1S/C15H17NO2.C2H6/c1-11-7-8-14(10-16-11)18-13-6-4-5-12(9-13)15(2,3)17;1-2/h4-10,17H,1-3H3;1-2H3
InChIKeyMRMVCVBKROOAML-UHFFFAOYSA-N
XLogP4.44
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
CID 177219464
5-(3-tert-butylphenoxy)pyridin-2-amine
CID 43351773
(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
CID 83125531
N-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 63943697
2-[3-(5-methoxy-2-pyridinyl)phenyl]propan-2-ol
CID 90271580
1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
CID 175550397
2-methyl-5-(3-nitrophenoxy)pyridine
CID 59712225
5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
CID 115489822
ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
CID 177219448
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
2-methyl-1-[(6-methyl-3-pyridinyl)oxy]propan-2-ol
CID 129451823
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol?
The IUPAC name of ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol (CID 177219239) is ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol.
What is the SMILES notation for ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol?
The canonical SMILES for ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol is CC.Cc1ccc(Oc2cccc(C(C)(C)O)c2)cn1.
What is the InChIKey of ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol?
The InChIKey is MRMVCVBKROOAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.C2H6/c1-11-7-8-14(10-16-11)18-13-6-4-5-12(9-13)15(2,3)17;1-2/h4-10,17H,1-3H3;1-2H3.
What are the key properties of ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol?
ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol is sourced from PubChem (CID 177219239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).