1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol

C19H25NO2 — CID 56669313

IUPAC1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol
SMILESCCCCC(O)(c1ccc(OC(C)C)cc1)c1cccnc1
InChIInChI=1S/C19H25NO2/c1-4-5-12-19(21,17-7-6-13-20-14-17)16-8-10-18(11-9-16)22-15(2)3/h6-11,13-15,21H,4-5,12H2,1-3H3
InChIKeyXXKFEUAFLNYJAG-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.29
Rot. Bonds7

About 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol

1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol (PubChem CID 56669313) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol
PubChem CID56669313
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol
SMILESCCCCC(O)(c1ccc(OC(C)C)cc1)c1cccnc1
InChIInChI=1S/C19H25NO2/c1-4-5-12-19(21,17-7-6-13-20-14-17)16-8-10-18(11-9-16)22-15(2)3/h6-11,13-15,21H,4-5,12H2,1-3H3
InChIKeyXXKFEUAFLNYJAG-UHFFFAOYSA-N
XLogP4.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol (CID 56669313) is 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol is CCCCC(O)(c1ccc(OC(C)C)cc1)c1cccnc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol?
The InChIKey is XXKFEUAFLNYJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-5-12-19(21,17-7-6-13-20-14-17)16-8-10-18(11-9-16)22-15(2)3/h6-11,13-15,21H,4-5,12H2,1-3H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol?
1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol has a molecular weight of 299.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-1-pyridin-3-ylpentan-1-ol is sourced from PubChem (CID 56669313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).