(2,3-dichlorophenyl) 2,2-diphenylacetate

C20H14Cl2O2 — CID 5086798

IUPAC(2,3-dichlorophenyl) 2,2-diphenylacetate
SMILESO=C(Oc1cccc(Cl)c1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14Cl2O2/c21-16-12-7-13-17(19(16)22)24-20(23)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18H
InChIKeyQTYMHROSAFCRHW-UHFFFAOYSA-N
MW357.24 g/mol
LogP5.73
Rot. Bonds4

About (2,3-dichlorophenyl) 2,2-diphenylacetate

(2,3-dichlorophenyl) 2,2-diphenylacetate (PubChem CID 5086798) has the molecular formula C20H14Cl2O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 2,2-diphenylacetate
PubChem CID5086798
Molecular FormulaC20H14Cl2O2
Molecular Weight357.24 g/mol
Exact Mass356.04
IUPAC Name(2,3-dichlorophenyl) 2,2-diphenylacetate
SMILESO=C(Oc1cccc(Cl)c1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14Cl2O2/c21-16-12-7-13-17(19(16)22)24-20(23)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18H
InChIKeyQTYMHROSAFCRHW-UHFFFAOYSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-acetylphenyl) 2,2-diphenylacetate
CID 134840846
4-O-(2,3-dichlorophenyl) 1-O-phenyl butanedioate
CID 91726923
(2,3-dichlorophenyl) 2-bromoacetate
CID 91723900
(2,3-dichlorophenyl) N-methylcarbamate;hydrochloride
CID 141106897
(2-chloro-4-nitrophenyl) 2,2-diphenylacetate
CID 10618995
(2-nitrophenyl) 2,2-diphenylacetate
CID 3339760
(2,3-dichlorophenyl) 2-cyano-3-oxobutanoate
CID 57095461
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
(2-chlorophenyl) 2-chloro-3-oxo-3-phenylpropanoate
CID 175409197
2-(2,3-dichlorophenoxy)-2-fluoroacetic acid
CID 79356464
1-(2,3-dichlorophenyl)-2-hydroxy-2-phenylethanone
CID 21163872
(2R)-2-(2,3-dichlorophenoxy)propanamide
CID 7372370

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 2,2-diphenylacetate?
The IUPAC name of (2,3-dichlorophenyl) 2,2-diphenylacetate (CID 5086798) is (2,3-dichlorophenyl) 2,2-diphenylacetate.
What is the SMILES notation for (2,3-dichlorophenyl) 2,2-diphenylacetate?
The canonical SMILES for (2,3-dichlorophenyl) 2,2-diphenylacetate is O=C(Oc1cccc(Cl)c1Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,3-dichlorophenyl) 2,2-diphenylacetate?
The InChIKey is QTYMHROSAFCRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O2/c21-16-12-7-13-17(19(16)22)24-20(23)18(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,18H.
What are the key properties of (2,3-dichlorophenyl) 2,2-diphenylacetate?
(2,3-dichlorophenyl) 2,2-diphenylacetate has a molecular weight of 357.24 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 2,2-diphenylacetate is sourced from PubChem (CID 5086798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).