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

C18H14ClNO — CID 71113745

IUPAC4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
SMILESOc1ccc(C(c2ccc(Cl)cc2)c2ccccn2)cc1
InChIInChI=1S/C18H14ClNO/c19-15-8-4-13(5-9-15)18(17-3-1-2-12-20-17)14-6-10-16(21)11-7-14/h1-12,18,21H
InChIKeyOPYWFZGJXNQQEZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.62
Rot. Bonds3

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

4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol (PubChem CID 71113745) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
PubChem CID71113745
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
SMILESOc1ccc(C(c2ccc(Cl)cc2)c2ccccn2)cc1
InChIInChI=1S/C18H14ClNO/c19-15-8-4-13(5-9-15)18(17-3-1-2-12-20-17)14-6-10-16(21)11-7-14/h1-12,18,21H
InChIKeyOPYWFZGJXNQQEZ-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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Related Compounds

2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid
CID 155797235
[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] trifluoromethanesulfonate
CID 89286436
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
bis(hexadecanoic acid);4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
CID 21125852
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
CID 129361874
[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
CID 155128689
4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol
CID 3084303
1-(4-chlorophenyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81406911
4-chlorophenol
CID 4684

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol?
The IUPAC name of 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol (CID 71113745) is 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol.
What is the SMILES notation for 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol?
The canonical SMILES for 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol is Oc1ccc(C(c2ccc(Cl)cc2)c2ccccn2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol?
The InChIKey is OPYWFZGJXNQQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-15-8-4-13(5-9-15)18(17-3-1-2-12-20-17)14-6-10-16(21)11-7-14/h1-12,18,21H.
What are the key properties of 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol?
4-[(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 4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol is sourced from PubChem (CID 71113745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).