(2-quinolin-2-ylphenyl) 2-phenylacetate

C23H17NO2 — CID 174629476

IUPAC(2-quinolin-2-ylphenyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C23H17NO2/c25-23(16-17-8-2-1-3-9-17)26-22-13-7-5-11-19(22)21-15-14-18-10-4-6-12-20(18)24-21/h1-15H,16H2
InChIKeyYGOTVNKADKXFBV-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.05
Rot. Bonds4

About (2-quinolin-2-ylphenyl) 2-phenylacetate

(2-quinolin-2-ylphenyl) 2-phenylacetate (PubChem CID 174629476) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2-quinolin-2-ylphenyl) 2-phenylacetate.

Molecular Properties

Compound Name(2-quinolin-2-ylphenyl) 2-phenylacetate
PubChem CID174629476
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name(2-quinolin-2-ylphenyl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C23H17NO2/c25-23(16-17-8-2-1-3-9-17)26-22-13-7-5-11-19(22)21-15-14-18-10-4-6-12-20(18)24-21/h1-15H,16H2
InChIKeyYGOTVNKADKXFBV-UHFFFAOYSA-N
XLogP5.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-(1,3-benzothiazol-2-yl)phenyl] 2-phenylacetate
CID 7936333
(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
CID 162334552
1-(4-quinolin-2-ylphenyl)propan-2-one
CID 82540961
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
CID 29486304
2-phenyl-N-(3-quinolin-2-ylphenyl)acetamide
CID 46376277
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
phenyl 2-phenylacetate;zinc
CID 70522084
2-[2-(2-methylpropyl)phenyl]quinoline
CID 175803564
(2-chlorophenyl) 2-(4-chlorophenyl)acetate
CID 3431914
[2-(2-iminoacetyl)phenyl] 2-phenylacetate
CID 91290911
2-(2-fluorophenyl)quinoline
CID 11622684

Frequently Asked Questions

What is the IUPAC name of (2-quinolin-2-ylphenyl) 2-phenylacetate?
The IUPAC name of (2-quinolin-2-ylphenyl) 2-phenylacetate (CID 174629476) is (2-quinolin-2-ylphenyl) 2-phenylacetate.
What is the SMILES notation for (2-quinolin-2-ylphenyl) 2-phenylacetate?
The canonical SMILES for (2-quinolin-2-ylphenyl) 2-phenylacetate is O=C(Cc1ccccc1)Oc1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of (2-quinolin-2-ylphenyl) 2-phenylacetate?
The InChIKey is YGOTVNKADKXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-23(16-17-8-2-1-3-9-17)26-22-13-7-5-11-19(22)21-15-14-18-10-4-6-12-20(18)24-21/h1-15H,16H2.
What are the key properties of (2-quinolin-2-ylphenyl) 2-phenylacetate?
(2-quinolin-2-ylphenyl) 2-phenylacetate has a molecular weight of 339.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-quinolin-2-ylphenyl) 2-phenylacetate is sourced from PubChem (CID 174629476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).