4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol

C20H18ClNO2 — CID 3017115

IUPAC4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
SMILESCC(O)(c1cccc(Cl)c1)C(c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C20H18ClNO2/c1-20(24,15-5-4-6-16(21)13-15)19(18-7-2-3-12-22-18)14-8-10-17(23)11-9-14/h2-13,19,23-24H,1H3
InChIKeyAFGHHQYPGGUUDY-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.48
Rot. Bonds4

About 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol

4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol (PubChem CID 3017115) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
PubChem CID3017115
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
SMILESCC(O)(c1cccc(Cl)c1)C(c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C20H18ClNO2/c1-20(24,15-5-4-6-16(21)13-15)19(18-7-2-3-12-22-18)14-8-10-17(23)11-9-14/h2-13,19,23-24H,1H3
InChIKeyAFGHHQYPGGUUDY-UHFFFAOYSA-N
XLogP4.48
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol?
The IUPAC name of 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol (CID 3017115) is 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol?
The canonical SMILES for 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol is CC(O)(c1cccc(Cl)c1)C(c1ccc(O)cc1)c1ccccn1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol?
The InChIKey is AFGHHQYPGGUUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-20(24,15-5-4-6-16(21)13-15)19(18-7-2-3-12-22-18)14-8-10-17(23)11-9-14/h2-13,19,23-24H,1H3.
What are the key properties of 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol?
4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol has a molecular weight of 339.82 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol is sourced from PubChem (CID 3017115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).