[5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol

C20H27NO — CID 22005111

IUPAC[5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1
InChIInChI=1S/C20H27NO/c1-6-16-18(15-10-8-7-9-11-15)17(12-22)20(14(4)5)21-19(16)13(2)3/h7-11,13-14,22H,6,12H2,1-5H3
InChIKeyYXZAOVVNIMGSEO-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.05
Rot. Bonds5

About [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol

[5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005111) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005111
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name[5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1
InChIInChI=1S/C20H27NO/c1-6-16-18(15-10-8-7-9-11-15)17(12-22)20(14(4)5)21-19(16)13(2)3/h7-11,13-14,22H,6,12H2,1-5H3
InChIKeyYXZAOVVNIMGSEO-UHFFFAOYSA-N
XLogP5.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005111) is [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1.
What is the InChIKey of [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is YXZAOVVNIMGSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-6-16-18(15-10-8-7-9-11-15)17(12-22)20(14(4)5)21-19(16)13(2)3/h7-11,13-14,22H,6,12H2,1-5H3.
What are the key properties of [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 297.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-phenyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).