1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol

C17H20ClNO2 — CID 83110707

IUPAC1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(C)O)nc1
InChIInChI=1S/C17H20ClNO2/c1-10(2)14-8-17(11(3)7-15(14)18)21-13-5-6-16(12(4)20)19-9-13/h5-10,12,20H,1-4H3
InChIKeyNMEWLRKVSAHSLF-UHFFFAOYSA-N
MW305.81 g/mol
LogP5.01
Rot. Bonds4

About 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol

1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol (PubChem CID 83110707) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
PubChem CID83110707
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(C)O)nc1
InChIInChI=1S/C17H20ClNO2/c1-10(2)14-8-17(11(3)7-15(14)18)21-13-5-6-16(12(4)20)19-9-13/h5-10,12,20H,1-4H3
InChIKeyNMEWLRKVSAHSLF-UHFFFAOYSA-N
XLogP5.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.81
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol
CID 43506602
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032
1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
CID 83125125
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
CID 107284882
(1R)-1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83124719
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 43352001
[6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256523
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
1-[5-(2-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124644
(1R)-1-[5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanol
CID 83125304
(1S)-1-[5-(2-methoxyphenoxy)-2-pyridinyl]ethanol
CID 83124880
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol (CID 83110707) is 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol is Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C(C)O)nc1.
What is the InChIKey of 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol?
The InChIKey is NMEWLRKVSAHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-10(2)14-8-17(11(3)7-15(14)18)21-13-5-6-16(12(4)20)19-9-13/h5-10,12,20H,1-4H3.
What are the key properties of 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol?
1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol has a molecular weight of 305.81 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83110707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).