1-(cyclopropyloxymethyl)-4-nitrobenzene

C10H11NO3 — CID 171836486

IUPAC1-(cyclopropyloxymethyl)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(COC2CC2)cc1
InChIInChI=1S/C10H11NO3/c12-11(13)9-3-1-8(2-4-9)7-14-10-5-6-10/h1-4,10H,5-7H2
InChIKeyHNHISXKZBXOBNT-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.27
Rot. Bonds4

About 1-(cyclopropyloxymethyl)-4-nitrobenzene

1-(cyclopropyloxymethyl)-4-nitrobenzene (PubChem CID 171836486) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-(cyclopropyloxymethyl)-4-nitrobenzene.

Molecular Properties

Compound Name1-(cyclopropyloxymethyl)-4-nitrobenzene
PubChem CID171836486
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-(cyclopropyloxymethyl)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(COC2CC2)cc1
InChIInChI=1S/C10H11NO3/c12-11(13)9-3-1-8(2-4-9)7-14-10-5-6-10/h1-4,10H,5-7H2
InChIKeyHNHISXKZBXOBNT-UHFFFAOYSA-N
XLogP2.27
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.27
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

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CID 12806999
1-(cyclohexyloxymethyl)-3-nitrobenzene
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[4-[(3-nitrophenyl)methoxy]cyclohexyl]methanol
CID 106825310
tert-butyl 3-[(4-nitrophenyl)methoxy]pyrrolidine-1-carboxylate
CID 67240772
1-nitro-4-(phosphorosooxymethyl)benzene
CID 58371231
4-(cyclohexyloxymethyl)-2-nitroaniline
CID 55044733
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-4-nitrobenzene
CID 10661260
1-(ethoxymethyl)-4-nitrobenzene;N-methylmethanamine
CID 70210038
(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
CID 129386146
(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246098
(4-nitrophenyl)methoxyboronic acid
CID 11116985

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropyloxymethyl)-4-nitrobenzene?
The IUPAC name of 1-(cyclopropyloxymethyl)-4-nitrobenzene (CID 171836486) is 1-(cyclopropyloxymethyl)-4-nitrobenzene.
What is the SMILES notation for 1-(cyclopropyloxymethyl)-4-nitrobenzene?
The canonical SMILES for 1-(cyclopropyloxymethyl)-4-nitrobenzene is O=[N+]([O-])c1ccc(COC2CC2)cc1.
What is the InChIKey of 1-(cyclopropyloxymethyl)-4-nitrobenzene?
The InChIKey is HNHISXKZBXOBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-11(13)9-3-1-8(2-4-9)7-14-10-5-6-10/h1-4,10H,5-7H2.
What are the key properties of 1-(cyclopropyloxymethyl)-4-nitrobenzene?
1-(cyclopropyloxymethyl)-4-nitrobenzene has a molecular weight of 193.20 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropyloxymethyl)-4-nitrobenzene is sourced from PubChem (CID 171836486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).