9H-fluoren-9-yl 2-(2-nitrophenyl)acetate

C21H15NO4 — CID 7832953

IUPAC9H-fluoren-9-yl 2-(2-nitrophenyl)acetate
SMILESO=C(Cc1ccccc1[N+](=O)[O-])OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO4/c23-20(13-14-7-1-6-12-19(14)22(24)25)26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-12,21H,13H2
InChIKeyOFXDDUUNEAVBQP-UHFFFAOYSA-N
MW345.35 g/mol
LogP4.45
Rot. Bonds4

About 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate

9H-fluoren-9-yl 2-(2-nitrophenyl)acetate (PubChem CID 7832953) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2-(2-nitrophenyl)acetate
PubChem CID7832953
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name9H-fluoren-9-yl 2-(2-nitrophenyl)acetate
SMILESO=C(Cc1ccccc1[N+](=O)[O-])OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H15NO4/c23-20(13-14-7-1-6-12-19(14)22(24)25)26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-12,21H,13H2
InChIKeyOFXDDUUNEAVBQP-UHFFFAOYSA-N
XLogP4.45
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.45
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

methyl 2-(2-nitrophenyl)acetate
CID 520464
fluoro 2-(2-nitrophenyl)acetate
CID 174655979
(2-oxo-1-phenylethenyl) 2-(2-nitrophenyl)acetate
CID 174983557
(2-bromophenyl)methyl 2-(2-nitrophenyl)acetate
CID 55316012
[(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate
CID 2373957
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
(2-nitrophenyl)methyl carbamate
CID 21490181
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate?
The IUPAC name of 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate (CID 7832953) is 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate.
What is the SMILES notation for 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate?
The canonical SMILES for 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate is O=C(Cc1ccccc1[N+](=O)[O-])OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate?
The InChIKey is OFXDDUUNEAVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-20(13-14-7-1-6-12-19(14)22(24)25)26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)21/h1-12,21H,13H2.
What are the key properties of 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate?
9H-fluoren-9-yl 2-(2-nitrophenyl)acetate has a molecular weight of 345.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2-(2-nitrophenyl)acetate is sourced from PubChem (CID 7832953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).