1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene

C11H15NO3 — CID 156841490

IUPAC1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene
SMILESCOCc1ccc(C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15NO3/c1-8(2)9-4-5-10(7-15-3)11(6-9)12(13)14/h4-6,8H,7H2,1-3H3
InChIKeyICDJCMACMFMIIC-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.86
Rot. Bonds4

About 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene

1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene (PubChem CID 156841490) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene
PubChem CID156841490
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene
SMILESCOCc1ccc(C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15NO3/c1-8(2)9-4-5-10(7-15-3)11(6-9)12(13)14/h4-6,8H,7H2,1-3H3
InChIKeyICDJCMACMFMIIC-UHFFFAOYSA-N
XLogP2.86
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.86
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-methoxy-1-(methoxymethyl)-2-nitrobenzene
CID 10584070
CID 158735382
CID 158735382
1-ethyl-4-(methoxymethyl)-2-nitrobenzene
CID 12708566
3-[2-(2-nitro-4-propan-2-ylphenyl)ethyl]pyridine
CID 160930845
1-ethenyl-2-nitro-4-propan-2-ylbenzene
CID 19936978
copper;2-nitro-4-propan-2-ylbenzoic acid
CID 175716699
2-nitro-5-[(2-nitro-4-propan-2-ylphenoxy)methyl]furan
CID 58463818
4-chloro-1-(2-methylpropoxymethyl)-2-nitrobenzene
CID 91693582
2-nitro-5-propan-2-ylbenzonitrile
CID 100963233
2-[(2-methylpropan-2-yl)oxy]-1-nitro-4-propan-2-ylbenzene
CID 144540108
(2-nitro-5-propan-2-ylphenyl) 2-(4-methoxyphenyl)acetate
CID 168729144
1-(2-methoxyethyl)-4-(2-nitro-5-propan-2-ylphenyl)piperazine
CID 168729115

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene?
The IUPAC name of 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene (CID 156841490) is 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene?
The canonical SMILES for 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene is COCc1ccc(C(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene?
The InChIKey is ICDJCMACMFMIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(2)9-4-5-10(7-15-3)11(6-9)12(13)14/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene?
1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene has a molecular weight of 209.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene is sourced from PubChem (CID 156841490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).