(2-nitrophenyl) 2,2-diphenylacetate

C20H15NO4 — CID 3339760

IUPAC(2-nitrophenyl) 2,2-diphenylacetate
SMILESO=C(Oc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NO4/c22-20(25-18-14-8-7-13-17(18)21(23)24)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKeyZUWOIEBBBGOQBQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.33
Rot. Bonds5

About (2-nitrophenyl) 2,2-diphenylacetate

(2-nitrophenyl) 2,2-diphenylacetate (PubChem CID 3339760) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2-nitrophenyl) 2,2-diphenylacetate.

Molecular Properties

Compound Name(2-nitrophenyl) 2,2-diphenylacetate
PubChem CID3339760
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name(2-nitrophenyl) 2,2-diphenylacetate
SMILESO=C(Oc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15NO4/c22-20(25-18-14-8-7-13-17(18)21(23)24)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKeyZUWOIEBBBGOQBQ-UHFFFAOYSA-N
XLogP4.33
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.33
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-nitrophenyl) 2-methoxy-2-phenylacetate
CID 10085432
phenyl 2-(2-nitrophenyl)-2-phenylacetate
CID 23292464
(2-methoxy-5-nitrophenyl) 2,2-diphenylacetate
CID 8908474
(2-chloro-4-nitrophenyl) 2,2-diphenylacetate
CID 10618995
(2-nitrophenyl) N-propan-2-ylcarbamate
CID 11241573
(2-acetylphenyl) 2,2-diphenylacetate
CID 134840846
(2,3-dichlorophenyl) 2,2-diphenylacetate
CID 5086798
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
(2-nitrophenyl) pent-4-ynoate
CID 137365147
(2-nitrophenyl) (E)-3-phenylprop-2-enoate
CID 905313
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-chloro-3-(2-nitrophenoxy)butanediamide
CID 91035511

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl) 2,2-diphenylacetate?
The IUPAC name of (2-nitrophenyl) 2,2-diphenylacetate (CID 3339760) is (2-nitrophenyl) 2,2-diphenylacetate.
What is the SMILES notation for (2-nitrophenyl) 2,2-diphenylacetate?
The canonical SMILES for (2-nitrophenyl) 2,2-diphenylacetate is O=C(Oc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-nitrophenyl) 2,2-diphenylacetate?
The InChIKey is ZUWOIEBBBGOQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-20(25-18-14-8-7-13-17(18)21(23)24)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H.
What are the key properties of (2-nitrophenyl) 2,2-diphenylacetate?
(2-nitrophenyl) 2,2-diphenylacetate has a molecular weight of 333.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl) 2,2-diphenylacetate is sourced from PubChem (CID 3339760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).