4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene

C11H13NO3 — CID 11735902

IUPAC4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
SMILESCOc1ccc(CC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13NO3/c1-15-11-5-4-9(6-8-2-3-8)7-10(11)12(13)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyOJQPPQOLOQFYIE-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.56
Rot. Bonds4

About 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene

4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene (PubChem CID 11735902) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
PubChem CID11735902
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene
SMILESCOc1ccc(CC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13NO3/c1-15-11-5-4-9(6-8-2-3-8)7-10(11)12(13)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyOJQPPQOLOQFYIE-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
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

3-[(4-methoxy-3-nitrophenyl)methyl]piperidin-2-one
CID 104679139
N-(cyclopropylmethyl)-1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-4-amine
CID 119926501
4-(2-chloroethyl)-1-methoxy-2-nitrobenzene
CID 19438355
4-benzyl-1-(4-methoxy-3-nitrophenyl)sulfonylpiperidine
CID 2916851
2-cyclopropyl-N-[(4-methoxy-3-nitrophenyl)methyl]propan-2-amine
CID 103700101
(4-methoxy-3-nitrophenyl)methanesulfinic acid
CID 165455240
N-[[1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 119927956
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912831
N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908275
trans-(1R,2R)-2-[(4-methoxy-3-nitrophenyl)methoxy]cyclopentan-1-amine
CID 177331705
3-[2-[(4-methoxy-3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795948

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene?
The IUPAC name of 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene (CID 11735902) is 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene?
The canonical SMILES for 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene is COc1ccc(CC2CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene?
The InChIKey is OJQPPQOLOQFYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-11-5-4-9(6-8-2-3-8)7-10(11)12(13)14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene?
4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene has a molecular weight of 207.23 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-methoxy-2-nitrobenzene is sourced from PubChem (CID 11735902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).