2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride

C18H13Cl2NO2 — CID 87121230

IUPAC2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride
SMILESO=C(Cl)C(Cl)(Cc1cnc2ccccc2c1)c1ccc(O)cc1
InChIInChI=1S/C18H13Cl2NO2/c19-17(23)18(20,14-5-7-15(22)8-6-14)10-12-9-13-3-1-2-4-16(13)21-11-12/h1-9,11,22H,10H2
InChIKeyRGQZGSKHTOLMLD-UHFFFAOYSA-N
MW346.21 g/mol
LogP4.38
Rot. Bonds4

About 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride

2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride (PubChem CID 87121230) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride.

Molecular Properties

Compound Name2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride
PubChem CID87121230
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride
SMILESO=C(Cl)C(Cl)(Cc1cnc2ccccc2c1)c1ccc(O)cc1
InChIInChI=1S/C18H13Cl2NO2/c19-17(23)18(20,14-5-7-15(22)8-6-14)10-12-9-13-3-1-2-4-16(13)21-11-12/h1-9,11,22H,10H2
InChIKeyRGQZGSKHTOLMLD-UHFFFAOYSA-N
XLogP4.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride?
The IUPAC name of 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride (CID 87121230) is 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride.
What is the SMILES notation for 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride?
The canonical SMILES for 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride is O=C(Cl)C(Cl)(Cc1cnc2ccccc2c1)c1ccc(O)cc1.
What is the InChIKey of 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride?
The InChIKey is RGQZGSKHTOLMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c19-17(23)18(20,14-5-7-15(22)8-6-14)10-12-9-13-3-1-2-4-16(13)21-11-12/h1-9,11,22H,10H2.
What are the key properties of 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride?
2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride has a molecular weight of 346.21 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride is sourced from PubChem (CID 87121230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).