phenyl 2-(2-nitrophenyl)-2-phenylacetate

C20H15NO4 — CID 23292464

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

About phenyl 2-(2-nitrophenyl)-2-phenylacetate

phenyl 2-(2-nitrophenyl)-2-phenylacetate (PubChem CID 23292464) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is phenyl 2-(2-nitrophenyl)-2-phenylacetate.

Molecular Properties

Compound Namephenyl 2-(2-nitrophenyl)-2-phenylacetate
PubChem CID23292464
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Namephenyl 2-(2-nitrophenyl)-2-phenylacetate
SMILESO=C(Oc1ccccc1)C(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H15NO4/c22-20(25-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)21(23)24/h1-14,19H
InChIKeyREWVUAKWWDZTSU-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) 2,2-diphenylacetate
CID 3339760
phenyl 2-[hydroxy-(2-nitrophenyl)methyl]prop-2-enoate
CID 15524888
methyl 2-(3-chlorophenyl)-2-(2-nitrophenyl)acetate
CID 23397302
diphenyl 2-[hydroxy-(2-nitrophenyl)methyl]-4-methylidenepentanedioate
CID 15524894
2-(2-nitrophenyl)propanedioic acid
CID 18413218
4-(2,2-diphenylacetyl)oxybenzoate
CID 6956217
(2S)-2-bromo-2-(2-nitrophenyl)acetic acid
CID 97170538
methyl (2S)-2-hydroxy-2-(2-nitrophenyl)acetate
CID 7054379
methyl (2S)-2-(2-nitrophenyl)propanoate
CID 129390195
(4-nitrophenyl) 2-bromo-2-phenylacetate
CID 174215654
1-nitro-2-[nitroso(phenyl)methyl]benzene
CID 57068821
3-amino-2-(2-nitrophenyl)butanoic acid
CID 67114561

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2-nitrophenyl)-2-phenylacetate?
The IUPAC name of phenyl 2-(2-nitrophenyl)-2-phenylacetate (CID 23292464) is phenyl 2-(2-nitrophenyl)-2-phenylacetate.
What is the SMILES notation for phenyl 2-(2-nitrophenyl)-2-phenylacetate?
The canonical SMILES for phenyl 2-(2-nitrophenyl)-2-phenylacetate is O=C(Oc1ccccc1)C(c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of phenyl 2-(2-nitrophenyl)-2-phenylacetate?
The InChIKey is REWVUAKWWDZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-20(25-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)21(23)24/h1-14,19H.
What are the key properties of phenyl 2-(2-nitrophenyl)-2-phenylacetate?
phenyl 2-(2-nitrophenyl)-2-phenylacetate 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 phenyl 2-(2-nitrophenyl)-2-phenylacetate is sourced from PubChem (CID 23292464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).