3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol

C20H19NO — CID 46854448

IUPAC3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol
SMILESCCC(c1ccncc1)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C20H19NO/c1-2-20(17-10-12-21-13-11-17)16-8-6-15(7-9-16)18-4-3-5-19(22)14-18/h3-14,20,22H,2H2,1H3
InChIKeyCANWOPWELBFZMH-UHFFFAOYSA-N
MW289.38 g/mol
LogP5.00
Rot. Bonds4

About 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol

3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol (PubChem CID 46854448) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol.

Molecular Properties

Compound Name3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol
PubChem CID46854448
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol
SMILESCCC(c1ccncc1)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C20H19NO/c1-2-20(17-10-12-21-13-11-17)16-8-6-15(7-9-16)18-4-3-5-19(22)14-18/h3-14,20,22H,2H2,1H3
InChIKeyCANWOPWELBFZMH-UHFFFAOYSA-N
XLogP5.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol?
The IUPAC name of 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol (CID 46854448) is 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol.
What is the SMILES notation for 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol?
The canonical SMILES for 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol is CCC(c1ccncc1)c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol?
The InChIKey is CANWOPWELBFZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-20(17-10-12-21-13-11-17)16-8-6-15(7-9-16)18-4-3-5-19(22)14-18/h3-14,20,22H,2H2,1H3.
What are the key properties of 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol?
3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol has a molecular weight of 289.38 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-pyridin-4-ylpropyl)phenyl]phenol is sourced from PubChem (CID 46854448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).