2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol

C18H14ClNO — CID 162648928

IUPAC2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
SMILESOc1ccccc1C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C18H14ClNO/c19-14-10-8-13(9-11-14)18(16-6-3-4-12-20-16)15-5-1-2-7-17(15)21/h1-12,18,21H
InChIKeyFMRLOMCGOKYAKG-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.62
Rot. Bonds3

About 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol

2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol (PubChem CID 162648928) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
PubChem CID162648928
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
SMILESOc1ccccc1C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C18H14ClNO/c19-14-10-8-13(9-11-14)18(16-6-3-4-12-20-16)15-5-1-2-7-17(15)21/h1-12,18,21H
InChIKeyFMRLOMCGOKYAKG-UHFFFAOYSA-N
XLogP4.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol?
The IUPAC name of 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol (CID 162648928) is 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol.
What is the SMILES notation for 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol?
The canonical SMILES for 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol is Oc1ccccc1C(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol?
The InChIKey is FMRLOMCGOKYAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-14-10-8-13(9-11-14)18(16-6-3-4-12-20-16)15-5-1-2-7-17(15)21/h1-12,18,21H.
What are the key properties of 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol?
2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol has a molecular weight of 295.77 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol is sourced from PubChem (CID 162648928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).