(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol

C18H23NO2 — CID 83111249

IUPAC(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
SMILESCCC(C)(C)c1ccc(Oc2ccc([C@@H](C)O)nc2)cc1
InChIInChI=1S/C18H23NO2/c1-5-18(3,4)14-6-8-15(9-7-14)21-16-10-11-17(13(2)20)19-12-16/h6-13,20H,5H2,1-4H3/t13-/m1/s1
InChIKeyISBRSVNSFJIINB-CYBMUJFWSA-N
MW285.39 g/mol
LogP4.61
Rot. Bonds5

About (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol

(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol (PubChem CID 83111249) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
PubChem CID83111249
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
SMILESCCC(C)(C)c1ccc(Oc2ccc([C@@H](C)O)nc2)cc1
InChIInChI=1S/C18H23NO2/c1-5-18(3,4)14-6-8-15(9-7-14)21-16-10-11-17(13(2)20)19-12-16/h6-13,20H,5H2,1-4H3/t13-/m1/s1
InChIKeyISBRSVNSFJIINB-CYBMUJFWSA-N
XLogP4.61
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
CID 78944666
(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
CID 83125531
(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
CID 83124503
1-[5-(3-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124813
1-(5-propoxy-2-pyridinyl)ethanol
CID 174643637
1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
CID 83125125
2-butan-2-yl-5-(2-methylbutan-2-yl)pyridine
CID 90395896
1-[5-(2-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124644
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
CID 28537427
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol (CID 83111249) is (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol is CCC(C)(C)c1ccc(Oc2ccc([C@@H](C)O)nc2)cc1.
What is the InChIKey of (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol?
The InChIKey is ISBRSVNSFJIINB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-18(3,4)14-6-8-15(9-7-14)21-16-10-11-17(13(2)20)19-12-16/h6-13,20H,5H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol?
(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol is sourced from PubChem (CID 83111249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).