(2-nitrophenyl)methyl 2-phenylacetate

C15H13NO4 — CID 2752985

IUPAC(2-nitrophenyl)methyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13NO4/c17-15(10-12-6-2-1-3-7-12)20-11-13-8-4-5-9-14(13)16(18)19/h1-9H,10-11H2
InChIKeyXXGQMSGRPUBNNZ-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.88
Rot. Bonds5

About (2-nitrophenyl)methyl 2-phenylacetate

(2-nitrophenyl)methyl 2-phenylacetate (PubChem CID 2752985) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2-nitrophenyl)methyl 2-phenylacetate.

Molecular Properties

Compound Name(2-nitrophenyl)methyl 2-phenylacetate
PubChem CID2752985
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(2-nitrophenyl)methyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13NO4/c17-15(10-12-6-2-1-3-7-12)20-11-13-8-4-5-9-14(13)16(18)19/h1-9H,10-11H2
InChIKeyXXGQMSGRPUBNNZ-UHFFFAOYSA-N
XLogP2.88
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.88
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'}

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Related Compounds

2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
(2-nitrophenyl)methyl carbamate
CID 21490181
(2-bromophenyl)methyl 2-(2-nitrophenyl)acetate
CID 55316012
(2-nitrophenyl)methyl 2,2-dihydroxyacetate
CID 70483540
(2-nitrophenyl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667161
(2-nitrophenyl)methyl deuteriophosphanylformate
CID 59423019
(2-nitrophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 41238319
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
bis[(2-nitrophenyl)methyl] piperazine-1,4-dicarboxylate
CID 87193432
(Z)-3-ethyl-4-[(2-nitrophenyl)methoxy]pent-3-en-2-one
CID 153333064
(2-nitrophenyl)methoxy-phenoxymethanethione
CID 154605920
(2-nitrophenyl)methyl 4-bromo-3,5-dinitrobenzoate
CID 126189108

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methyl 2-phenylacetate?
The IUPAC name of (2-nitrophenyl)methyl 2-phenylacetate (CID 2752985) is (2-nitrophenyl)methyl 2-phenylacetate.
What is the SMILES notation for (2-nitrophenyl)methyl 2-phenylacetate?
The canonical SMILES for (2-nitrophenyl)methyl 2-phenylacetate is O=C(Cc1ccccc1)OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)methyl 2-phenylacetate?
The InChIKey is XXGQMSGRPUBNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-15(10-12-6-2-1-3-7-12)20-11-13-8-4-5-9-14(13)16(18)19/h1-9H,10-11H2.
What are the key properties of (2-nitrophenyl)methyl 2-phenylacetate?
(2-nitrophenyl)methyl 2-phenylacetate has a molecular weight of 271.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methyl 2-phenylacetate is sourced from PubChem (CID 2752985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).