2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol

C22H31NO2 — CID 135819149

IUPAC2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol
SMILESCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O
InChIInChI=1S/C22H31NO2/c1-7-10-17-20(16-11-8-9-12-18(16)25)19(15(6)24)22(14(4)5)23-21(17)13(2)3/h8-9,11-15,24-25H,7,10H2,1-6H3
InChIKeyJSJLLHPAMPKWIX-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.71
Rot. Bonds6

About 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol

2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol (PubChem CID 135819149) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol
PubChem CID135819149
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol
SMILESCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O
InChIInChI=1S/C22H31NO2/c1-7-10-17-20(16-11-8-9-12-18(16)25)19(15(6)24)22(14(4)5)23-21(17)13(2)3/h8-9,11-15,24-25H,7,10H2,1-6H3
InChIKeyJSJLLHPAMPKWIX-UHFFFAOYSA-N
XLogP5.71
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol?
The IUPAC name of 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol (CID 135819149) is 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol?
The canonical SMILES for 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol is CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O.
What is the InChIKey of 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol?
The InChIKey is JSJLLHPAMPKWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-7-10-17-20(16-11-8-9-12-18(16)25)19(15(6)24)22(14(4)5)23-21(17)13(2)3/h8-9,11-15,24-25H,7,10H2,1-6H3.
What are the key properties of 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol?
2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol has a molecular weight of 341.50 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol is sourced from PubChem (CID 135819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).