2-hydroxy-2,2-diphenylacetate;hydrochloride

C14H12ClO3- — CID 21418239

IUPAC2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESCl.O=C([O-])C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3.ClH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,17H,(H,15,16);1H/p-1
InChIKeyPQYNIHOULQAQNH-UHFFFAOYSA-M
MW263.70 g/mol
LogP1.09
Rot. Bonds3

About 2-hydroxy-2,2-diphenylacetate;hydrochloride

2-hydroxy-2,2-diphenylacetate;hydrochloride (PubChem CID 21418239) has the molecular formula C14H12ClO3- and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-hydroxy-2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-2,2-diphenylacetate;hydrochloride
PubChem CID21418239
Molecular FormulaC14H12ClO3-
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name2-hydroxy-2,2-diphenylacetate;hydrochloride
SMILESCl.O=C([O-])C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3.ClH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,17H,(H,15,16);1H/p-1
InChIKeyPQYNIHOULQAQNH-UHFFFAOYSA-M
XLogP1.09
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-2,2-diphenylacetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-2-phenylpropanoate
CID 6932633
magnesium bis(2-methyl-2-phenylpropanoate)
CID 141248278
sodium 2-methyl-2-phenylpropanoate
CID 141248267
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
CID 161419410
CID 161419410
calcium 2,2-diphenylpropanedioate
CID 153423965
potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 102059899
1,1-dimethylpiperidin-1-ium-3-ol;2-hydroxy-2,2-diphenylacetate
CID 23615823
calcium 2-tert-butyl-2-phenylpropanedioate
CID 153423901
2-hydroxy-2,2-diphenylacetate;2-(1-methylpiperidin-1-ium-1-yl)ethanol;hydroiodide
CID 21126788
2-hydroxy-2,2-diphenylacetate;2-hydroxyethyl-dimethyl-octylazanium;bromide
CID 21120041
(2R)-3,3,3-trifluoro-2-methyl-2-phenylpropanoate
CID 101271066

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The IUPAC name of 2-hydroxy-2,2-diphenylacetate;hydrochloride (CID 21418239) is 2-hydroxy-2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The canonical SMILES for 2-hydroxy-2,2-diphenylacetate;hydrochloride is Cl.O=C([O-])C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2,2-diphenylacetate;hydrochloride?
The InChIKey is PQYNIHOULQAQNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O3.ClH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,17H,(H,15,16);1H/p-1.
What are the key properties of 2-hydroxy-2,2-diphenylacetate;hydrochloride?
2-hydroxy-2,2-diphenylacetate;hydrochloride has a molecular weight of 263.70 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 21418239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).