2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone

C16H14Cl2O3 — CID 70447241

IUPAC2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone
SMILESCC(Cl)(Cl)OC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Cl2O3/c1-15(17,18)21-16(20,13-10-6-3-7-11-13)14(19)12-8-4-2-5-9-12/h2-11,20H,1H3
InChIKeyUTTDUNLRLVOERT-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.88
Rot. Bonds5

About 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone

2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone (PubChem CID 70447241) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone
PubChem CID70447241
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone
SMILESCC(Cl)(Cl)OC(O)(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Cl2O3/c1-15(17,18)21-16(20,13-10-6-3-7-11-13)14(19)12-8-4-2-5-9-12/h2-11,20H,1H3
InChIKeyUTTDUNLRLVOERT-UHFFFAOYSA-N
XLogP3.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1,2,2-triphenylethanone
CID 11301235
2-chloro-2-methoxy-1-phenylpropan-1-one
CID 89336045
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
(2R)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoic acid
CID 97115094
4-hydroxy-2-methyl-1,2-diphenylbutan-1-one
CID 172768651
(2-hydroxy-3-oxo-2,3-diphenylpropyl) methanesulfonate
CID 19776986
2-chloro-2-(4-methoxyphenyl)-3-oxo-3-phenylpropanoic acid
CID 175409188
4-hydroxy-1,4-diphenylpentan-1-one
CID 10634707
2-hydroxy-3-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 19878470
3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955
dichloro(phenyl)methanol
CID 25493
3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one
CID 150106671

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone?
The IUPAC name of 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone (CID 70447241) is 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone.
What is the SMILES notation for 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone?
The canonical SMILES for 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone is CC(Cl)(Cl)OC(O)(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone?
The InChIKey is UTTDUNLRLVOERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-15(17,18)21-16(20,13-10-6-3-7-11-13)14(19)12-8-4-2-5-9-12/h2-11,20H,1H3.
What are the key properties of 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone?
2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone has a molecular weight of 325.19 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dichloroethoxy)-2-hydroxy-1,2-diphenylethanone is sourced from PubChem (CID 70447241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).