1-(cyclobutyloxymethyl)-2-nitrobenzene

C11H13NO3 — CID 122651688

IUPAC1-(cyclobutyloxymethyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1COC1CCC1
InChIInChI=1S/C11H13NO3/c13-12(14)11-7-2-1-4-9(11)8-15-10-5-3-6-10/h1-2,4,7,10H,3,5-6,8H2
InChIKeyNFCZRODSINADHK-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.66
Rot. Bonds4

About 1-(cyclobutyloxymethyl)-2-nitrobenzene

1-(cyclobutyloxymethyl)-2-nitrobenzene (PubChem CID 122651688) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(cyclobutyloxymethyl)-2-nitrobenzene.

Molecular Properties

Compound Name1-(cyclobutyloxymethyl)-2-nitrobenzene
PubChem CID122651688
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-(cyclobutyloxymethyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1COC1CCC1
InChIInChI=1S/C11H13NO3/c13-12(14)11-7-2-1-4-9(11)8-15-10-5-3-6-10/h1-2,4,7,10H,3,5-6,8H2
InChIKeyNFCZRODSINADHK-UHFFFAOYSA-N
XLogP2.66
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-[(2-nitrophenyl)methoxy]piperidine
CID 43346289
1-(cyclobutyloxymethyl)-2-fluoro-3-nitrobenzene
CID 107348718
2-[(3-methoxycyclohexyl)oxymethyl]-N-methyl-6-nitroaniline
CID 107352397
2-(cyclopentyloxymethyl)-1-methyl-3-nitrobenzene
CID 122651735
2-bromo-1-[(4-methylcyclohexyl)oxymethyl]-3-nitrobenzene
CID 114048711
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
3-[(2-fluoro-3-nitrophenyl)methoxy]piperidine
CID 107349946
N-methyl-2-nitro-6-(oxan-4-yloxymethyl)aniline
CID 107352339
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
(2-nitrophenyl)methyl N-cyclohexyl-N-[(2-nitrophenyl)methyl]carbamate
CID 87561557
(2-nitrophenyl)methoxymethanamine
CID 175012109
3-[(4-chloro-2-nitrophenyl)methoxy]cyclohexan-1-amine
CID 79464860

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutyloxymethyl)-2-nitrobenzene?
The IUPAC name of 1-(cyclobutyloxymethyl)-2-nitrobenzene (CID 122651688) is 1-(cyclobutyloxymethyl)-2-nitrobenzene.
What is the SMILES notation for 1-(cyclobutyloxymethyl)-2-nitrobenzene?
The canonical SMILES for 1-(cyclobutyloxymethyl)-2-nitrobenzene is O=[N+]([O-])c1ccccc1COC1CCC1.
What is the InChIKey of 1-(cyclobutyloxymethyl)-2-nitrobenzene?
The InChIKey is NFCZRODSINADHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-12(14)11-7-2-1-4-9(11)8-15-10-5-3-6-10/h1-2,4,7,10H,3,5-6,8H2.
What are the key properties of 1-(cyclobutyloxymethyl)-2-nitrobenzene?
1-(cyclobutyloxymethyl)-2-nitrobenzene has a molecular weight of 207.23 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutyloxymethyl)-2-nitrobenzene is sourced from PubChem (CID 122651688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).