4-(quinolin-4-ylmethyl)phenol

C16H13NO — CID 83128983

IUPAC4-(quinolin-4-ylmethyl)phenol
SMILESOc1ccc(Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H13NO/c18-14-7-5-12(6-8-14)11-13-9-10-17-16-4-2-1-3-15(13)16/h1-10,18H,11H2
InChIKeyGSDJZJIJWHPGII-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.53
Rot. Bonds2

About 4-(quinolin-4-ylmethyl)phenol

4-(quinolin-4-ylmethyl)phenol (PubChem CID 83128983) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(quinolin-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-(quinolin-4-ylmethyl)phenol
PubChem CID83128983
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name4-(quinolin-4-ylmethyl)phenol
SMILESOc1ccc(Cc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H13NO/c18-14-7-5-12(6-8-14)11-13-9-10-17-16-4-2-1-3-15(13)16/h1-10,18H,11H2
InChIKeyGSDJZJIJWHPGII-UHFFFAOYSA-N
XLogP3.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
CID 160837559
4-[(4-pyrazol-1-ylphenyl)methyl]quinoline
CID 174923169
7-[4-(quinolin-4-ylmethyl)phenyl]heptanoic acid
CID 15667429
[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66481827
3-methyl-5-(quinolin-4-ylmethyl)aniline
CID 107579575
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
2-methoxy-6-(quinolin-4-ylmethyl)phenol
CID 83131057
3-quinolin-4-ylpropan-1-ol
CID 21218471
4-[(4-hydroxyphenyl)methyl]naphthalene-1,8-diol
CID 129291927
quinolin-4-ylmethyl hydrogen carbonate
CID 154246402
2-(quinolin-4-ylmethylsulfanyl)phenol
CID 79240202
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-4-ylmethyl)phenol?
The IUPAC name of 4-(quinolin-4-ylmethyl)phenol (CID 83128983) is 4-(quinolin-4-ylmethyl)phenol.
What is the SMILES notation for 4-(quinolin-4-ylmethyl)phenol?
The canonical SMILES for 4-(quinolin-4-ylmethyl)phenol is Oc1ccc(Cc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-(quinolin-4-ylmethyl)phenol?
The InChIKey is GSDJZJIJWHPGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c18-14-7-5-12(6-8-14)11-13-9-10-17-16-4-2-1-3-15(13)16/h1-10,18H,11H2.
What are the key properties of 4-(quinolin-4-ylmethyl)phenol?
4-(quinolin-4-ylmethyl)phenol has a molecular weight of 235.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-4-ylmethyl)phenol is sourced from PubChem (CID 83128983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).