4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol

C22H17NO2 — CID 3084303

IUPAC4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H17NO2/c24-18-10-5-16(6-11-18)22(17-7-12-19(25)13-8-17)21-14-9-15-3-1-2-4-20(15)23-21/h1-14,22,24-25H
InChIKeyVRSOGPJFFUDHMU-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.83
Rot. Bonds3

About 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol

4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol (PubChem CID 3084303) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol
PubChem CID3084303
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C22H17NO2/c24-18-10-5-16(6-11-18)22(17-7-12-19(25)13-8-17)21-14-9-15-3-1-2-4-20(15)23-21/h1-14,22,24-25H
InChIKeyVRSOGPJFFUDHMU-UHFFFAOYSA-N
XLogP4.83
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[phenyl(pyridin-2-yl)methyl]quinoline
CID 175958050
amino(quinolin-2-yl)methanol
CID 154237779
4-[(4-hydroxyphenyl)-(6-methyl-2-pyridinyl)methyl]phenol
CID 154386225
methane;2-propan-2-ylquinoline
CID 161334581
ethane;2-propan-2-ylquinoline
CID 142538504
2-(2,2,2-trifluoro-1-phenylethyl)quinoline
CID 122207773
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
2-(1-chloroethyl)quinoline
CID 14750485
4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 71113745
1-quinolin-2-ylprop-2-en-1-ol
CID 65416491
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
4-[(2S)-2-[[(1S)-1-quinolin-2-ylethyl]amino]propyl]phenol
CID 97322144

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol (CID 3084303) is 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol is Oc1ccc(C(c2ccc(O)cc2)c2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol?
The InChIKey is VRSOGPJFFUDHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-18-10-5-16(6-11-18)22(17-7-12-19(25)13-8-17)21-14-9-15-3-1-2-4-20(15)23-21/h1-14,22,24-25H.
What are the key properties of 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol?
4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol has a molecular weight of 327.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol is sourced from PubChem (CID 3084303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).