(2-chloro-4-nitrophenyl) 2,2-diphenylacetate

C20H14ClNO4 — CID 10618995

IUPAC(2-chloro-4-nitrophenyl) 2,2-diphenylacetate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClNO4/c21-17-13-16(22(24)25)11-12-18(17)26-20(23)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H
InChIKeyICGLZBXGEZYDJD-UHFFFAOYSA-N
MW367.79 g/mol
LogP4.99
Rot. Bonds5

About (2-chloro-4-nitrophenyl) 2,2-diphenylacetate

(2-chloro-4-nitrophenyl) 2,2-diphenylacetate (PubChem CID 10618995) has the molecular formula C20H14ClNO4 and a molecular weight of 367.79 g/mol. Its IUPAC name is (2-chloro-4-nitrophenyl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(2-chloro-4-nitrophenyl) 2,2-diphenylacetate
PubChem CID10618995
Molecular FormulaC20H14ClNO4
Molecular Weight367.79 g/mol
Exact Mass367.06
IUPAC Name(2-chloro-4-nitrophenyl) 2,2-diphenylacetate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1Cl)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H14ClNO4/c21-17-13-16(22(24)25)11-12-18(17)26-20(23)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H
InChIKeyICGLZBXGEZYDJD-UHFFFAOYSA-N
XLogP4.99
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-5-nitrophenyl) 2,2-diphenylacetate
CID 8908474
(2-chloro-4-nitrophenyl) acetate
CID 14345185
(2-nitrophenyl) 2,2-diphenylacetate
CID 3339760
(2-chloro-4-nitrophenyl) 3-benzamidopropanoate
CID 16551848
(2-chloro-4-nitrophenyl) 2-(4-benzoylphenoxy)acetate
CID 8881767
(2-chloro-4-nitrophenyl) 2-(2-fluorophenoxy)acetate
CID 8881772
2-(2-chloro-4-nitrophenoxy)benzamide
CID 9251332
(2-oxo-1,2-diphenylethyl) 2-chloro-4-nitrobenzoate
CID 2936140
(2,3-dichlorophenyl) 2,2-diphenylacetate
CID 5086798
1,3-dichloro-2-(2-chloro-4-nitrophenoxy)benzene
CID 2794565
ethyl 2-(4-nitrophenyl)-2-phenylacetate
CID 171639560
[2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-methylpropanoate
CID 42963091

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-nitrophenyl) 2,2-diphenylacetate?
The IUPAC name of (2-chloro-4-nitrophenyl) 2,2-diphenylacetate (CID 10618995) is (2-chloro-4-nitrophenyl) 2,2-diphenylacetate.
What is the SMILES notation for (2-chloro-4-nitrophenyl) 2,2-diphenylacetate?
The canonical SMILES for (2-chloro-4-nitrophenyl) 2,2-diphenylacetate is O=C(Oc1ccc([N+](=O)[O-])cc1Cl)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-chloro-4-nitrophenyl) 2,2-diphenylacetate?
The InChIKey is ICGLZBXGEZYDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO4/c21-17-13-16(22(24)25)11-12-18(17)26-20(23)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H.
What are the key properties of (2-chloro-4-nitrophenyl) 2,2-diphenylacetate?
(2-chloro-4-nitrophenyl) 2,2-diphenylacetate has a molecular weight of 367.79 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-nitrophenyl) 2,2-diphenylacetate is sourced from PubChem (CID 10618995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).