2-(4-nitrophenyl)ethoxycarbonyloxy formate

C10H9NO7 — CID 152731694

IUPAC2-(4-nitrophenyl)ethoxycarbonyloxy formate
SMILESO=COOC(=O)OCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9NO7/c12-7-17-18-10(13)16-6-5-8-1-3-9(4-2-8)11(14)15/h1-4,7H,5-6H2
InChIKeyZXTJMIWLTQTZHM-UHFFFAOYSA-N
MW255.18 g/mol
LogP1.38
Rot. Bonds6

About 2-(4-nitrophenyl)ethoxycarbonyloxy formate

2-(4-nitrophenyl)ethoxycarbonyloxy formate (PubChem CID 152731694) has the molecular formula C10H9NO7 and a molecular weight of 255.18 g/mol. Its IUPAC name is 2-(4-nitrophenyl)ethoxycarbonyloxy formate.

Molecular Properties

Compound Name2-(4-nitrophenyl)ethoxycarbonyloxy formate
PubChem CID152731694
Molecular FormulaC10H9NO7
Molecular Weight255.18 g/mol
Exact Mass255.04
IUPAC Name2-(4-nitrophenyl)ethoxycarbonyloxy formate
SMILESO=COOC(=O)OCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9NO7/c12-7-17-18-10(13)16-6-5-8-1-3-9(4-2-8)11(14)15/h1-4,7H,5-6H2
InChIKeyZXTJMIWLTQTZHM-UHFFFAOYSA-N
XLogP1.38
TPSA104.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-nitrophenyl)ethyl prop-2-enoate
CID 70496275
bis[2-(4-nitrophenyl)ethyl] hexanedioate
CID 132820351
3-(4-nitrophenyl)propyl hydrogen carbonate
CID 67493125
2-O-[2-(benzenesulfonyl)ethyl] 1-O-[2-(4-nitrophenyl)ethyl] oxalate
CID 67910678
bis[2-(4-nitrophenyl)ethyl] hydrogen phosphate
CID 11294928
9-(4-nitrophenyl)nonyl hydrogen carbonate
CID 178069653
(4-nitrophenyl)methoxycarbonyl ethaneperoxoate
CID 162688007
2-(4-nitrophenyl)ethyl 2-cyano-3-hydroxybut-2-enoate
CID 67840534
3-(4-nitrophenyl)propanoate
CID 6923582
5-(4-nitrophenyl)pentyl acetate
CID 101451915
1-nitro-4-[4-[4-(4-nitrophenyl)but-1-enoxy]but-3-enyl]benzene
CID 139663582
2-[2-[2-(4-nitrophenyl)ethylamino]ethoxy]acetamide
CID 106238226

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)ethoxycarbonyloxy formate?
The IUPAC name of 2-(4-nitrophenyl)ethoxycarbonyloxy formate (CID 152731694) is 2-(4-nitrophenyl)ethoxycarbonyloxy formate.
What is the SMILES notation for 2-(4-nitrophenyl)ethoxycarbonyloxy formate?
The canonical SMILES for 2-(4-nitrophenyl)ethoxycarbonyloxy formate is O=COOC(=O)OCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)ethoxycarbonyloxy formate?
The InChIKey is ZXTJMIWLTQTZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO7/c12-7-17-18-10(13)16-6-5-8-1-3-9(4-2-8)11(14)15/h1-4,7H,5-6H2.
What are the key properties of 2-(4-nitrophenyl)ethoxycarbonyloxy formate?
2-(4-nitrophenyl)ethoxycarbonyloxy formate has a molecular weight of 255.18 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)ethoxycarbonyloxy formate is sourced from PubChem (CID 152731694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).