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

C22H30FNO2 — CID 135819146

IUPAC5-fluoro-2-[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-c1ccc(F)cc1O
InChIInChI=1S/C22H30FNO2/c1-7-8-17-20(16-10-9-15(23)11-18(16)26)19(14(6)25)22(13(4)5)24-21(17)12(2)3/h9-14,25-26H,7-8H2,1-6H3
InChIKeyWPUCRISSEKWRQP-UHFFFAOYSA-N
MW359.49 g/mol
LogP5.85
Rot. Bonds6

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

5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol (PubChem CID 135819146) has the molecular formula C22H30FNO2 and a molecular weight of 359.49 g/mol. Its IUPAC name is 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol
PubChem CID135819146
Molecular FormulaC22H30FNO2
Molecular Weight359.49 g/mol
Exact Mass359.23
IUPAC Name5-fluoro-2-[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-c1ccc(F)cc1O
InChIInChI=1S/C22H30FNO2/c1-7-8-17-20(16-10-9-15(23)11-18(16)26)19(14(6)25)22(13(4)5)24-21(17)12(2)3/h9-14,25-26H,7-8H2,1-6H3
InChIKeyWPUCRISSEKWRQP-UHFFFAOYSA-N
XLogP5.85
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol?
The IUPAC name of 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol (CID 135819146) is 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol?
The canonical SMILES for 5-fluoro-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-c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol?
The InChIKey is WPUCRISSEKWRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO2/c1-7-8-17-20(16-10-9-15(23)11-18(16)26)19(14(6)25)22(13(4)5)24-21(17)12(2)3/h9-14,25-26H,7-8H2,1-6H3.
What are the key properties of 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol?
5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol has a molecular weight of 359.49 g/mol, XLogP of 5.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(1-hydroxyethyl)-2,6-di(propan-2-yl)-5-propyl-4-pyridinyl]phenol is sourced from PubChem (CID 135819146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).