4-methyl-2-(4-phenylquinolin-2-yl)phenol

C22H17NO — CID 2459772

IUPAC4-methyl-2-(4-phenylquinolin-2-yl)phenol
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C22H17NO/c1-15-11-12-22(24)19(13-15)21-14-18(16-7-3-2-4-8-16)17-9-5-6-10-20(17)23-21/h2-14,24H,1H3
InChIKeyLHYADCUMEVENRM-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.58
Rot. Bonds2

About 4-methyl-2-(4-phenylquinolin-2-yl)phenol

4-methyl-2-(4-phenylquinolin-2-yl)phenol (PubChem CID 2459772) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylquinolin-2-yl)phenol.

Molecular Properties

Compound Name4-methyl-2-(4-phenylquinolin-2-yl)phenol
PubChem CID2459772
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name4-methyl-2-(4-phenylquinolin-2-yl)phenol
SMILESCc1ccc(O)c(-c2cc(-c3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C22H17NO/c1-15-11-12-22(24)19(13-15)21-14-18(16-7-3-2-4-8-16)17-9-5-6-10-20(17)23-21/h2-14,24H,1H3
InChIKeyLHYADCUMEVENRM-UHFFFAOYSA-N
XLogP5.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phenylquinolin-2-yl)phenol?
The IUPAC name of 4-methyl-2-(4-phenylquinolin-2-yl)phenol (CID 2459772) is 4-methyl-2-(4-phenylquinolin-2-yl)phenol.
What is the SMILES notation for 4-methyl-2-(4-phenylquinolin-2-yl)phenol?
The canonical SMILES for 4-methyl-2-(4-phenylquinolin-2-yl)phenol is Cc1ccc(O)c(-c2cc(-c3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 4-methyl-2-(4-phenylquinolin-2-yl)phenol?
The InChIKey is LHYADCUMEVENRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-15-11-12-22(24)19(13-15)21-14-18(16-7-3-2-4-8-16)17-9-5-6-10-20(17)23-21/h2-14,24H,1H3.
What are the key properties of 4-methyl-2-(4-phenylquinolin-2-yl)phenol?
4-methyl-2-(4-phenylquinolin-2-yl)phenol has a molecular weight of 311.38 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylquinolin-2-yl)phenol is sourced from PubChem (CID 2459772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).