(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol

C17H21NO2 — CID 83125531

IUPAC(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C17H21NO2/c1-12(19)16-9-8-15(11-18-16)20-14-7-5-6-13(10-14)17(2,3)4/h5-12,19H,1-4H3/t12-/m0/s1
InChIKeyKXNRCDDCXMJBPJ-LBPRGKRZSA-N
MW271.36 g/mol
LogP4.22
Rot. Bonds3

About (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol

(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol (PubChem CID 83125531) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
PubChem CID83125531
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(Oc2cccc(C(C)(C)C)c2)cn1
InChIInChI=1S/C17H21NO2/c1-12(19)16-9-8-15(11-18-16)20-14-7-5-6-13(10-14)17(2,3)4/h5-12,19H,1-4H3/t12-/m0/s1
InChIKeyKXNRCDDCXMJBPJ-LBPRGKRZSA-N
XLogP4.22
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124813
5-(3-tert-butylphenoxy)pyridin-2-amine
CID 43351773
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
CID 83111249
1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
CID 83125125
1-tert-butyl-3-(4-tert-butylphenoxy)benzene
CID 58542650
5-(3-tert-butylphenoxy)pyridine-2-carboximidamide
CID 115489822
ethane;2-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]propan-2-ol
CID 177219239
(1R)-1-[2-(3-tert-butylphenoxy)phenyl]ethanol
CID 78944861
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
(1R)-1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-ol
CID 103939075
(1R)-1-(5-naphthalen-1-yloxy-2-pyridinyl)ethanol
CID 83125038

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol (CID 83125531) is (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol is C[C@H](O)c1ccc(Oc2cccc(C(C)(C)C)c2)cn1.
What is the InChIKey of (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol?
The InChIKey is KXNRCDDCXMJBPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(19)16-9-8-15(11-18-16)20-14-7-5-6-13(10-14)17(2,3)4/h5-12,19H,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol?
(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83125531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).