1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol

C17H21NO2 — CID 115492831

IUPAC1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol
SMILESCCCCc1ccc(Oc2cc(C(C)O)ccn2)cc1
InChIInChI=1S/C17H21NO2/c1-3-4-5-14-6-8-16(9-7-14)20-17-12-15(13(2)19)10-11-18-17/h6-13,19H,3-5H2,1-2H3
InChIKeyBGLUWQNLYNQHDR-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.27
Rot. Bonds6

About 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol

1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol (PubChem CID 115492831) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol
PubChem CID115492831
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol
SMILESCCCCc1ccc(Oc2cc(C(C)O)ccn2)cc1
InChIInChI=1S/C17H21NO2/c1-3-4-5-14-6-8-16(9-7-14)20-17-12-15(13(2)19)10-11-18-17/h6-13,19H,3-5H2,1-2H3
InChIKeyBGLUWQNLYNQHDR-UHFFFAOYSA-N
XLogP4.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(4-butan-2-ylphenoxy)-4-pyridinyl]ethanol
CID 107665917
2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107709110
1-[4-[(4-pentylphenyl)methoxy]phenyl]ethanol
CID 139765630
5-(4-butylphenoxy)pyrazin-2-amine
CID 113322810
(1R)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234050
1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234966
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-4-pyridinyl]ethanol
CID 83234137
2-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107709611
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
(1R)-1-[2-(3-bromo-5-fluorophenoxy)-4-pyridinyl]ethanol
CID 81331652
3-(4-butylphenoxy)butan-2-ol
CID 115492969

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol?
The IUPAC name of 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol (CID 115492831) is 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol?
The canonical SMILES for 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol is CCCCc1ccc(Oc2cc(C(C)O)ccn2)cc1.
What is the InChIKey of 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol?
The InChIKey is BGLUWQNLYNQHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-4-5-14-6-8-16(9-7-14)20-17-12-15(13(2)19)10-11-18-17/h6-13,19H,3-5H2,1-2H3.
What are the key properties of 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol?
1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butylphenoxy)-4-pyridinyl]ethanol is sourced from PubChem (CID 115492831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).