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

C11H13NO4 — CID 140975291

IUPAC2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])c(OCC2CC2)c1
InChIInChI=1S/C11H13NO4/c1-15-9-4-5-10(12(13)14)11(6-9)16-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3
InChIKeyQUAXEUGRJXZWCN-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.39
Rot. Bonds5

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

2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene (PubChem CID 140975291) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
PubChem CID140975291
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])c(OCC2CC2)c1
InChIInChI=1S/C11H13NO4/c1-15-9-4-5-10(12(13)14)11(6-9)16-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3
InChIKeyQUAXEUGRJXZWCN-UHFFFAOYSA-N
XLogP2.39
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
CID 102702616
1-[3-(cyclopropylmethoxy)-4-nitrophenyl]-N-methylmethanamine
CID 62116913
2-(cyclopropylmethoxy)-1-nitro-4-(trifluoromethyl)benzene
CID 167459842
4-methoxy-1-nitro-2-prop-2-ynoxybenzene
CID 102703166
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
2-(cyclohexylmethoxy)-4-fluoro-1-nitrobenzene
CID 58735850
3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102702530
N-[[3-(cyclopropylmethoxy)-4-nitrophenyl]methyl]cyclopropanamine
CID 62114665
4-(3-ethoxy-4-nitrophenoxy)cyclohexan-1-amine
CID 63675702
2-[3-(cyclopropylmethoxy)-4-nitrophenyl]butanoic acid
CID 66940640
2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide
CID 102703756

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene?
The IUPAC name of 2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene (CID 140975291) is 2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene is COc1ccc([N+](=O)[O-])c(OCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene?
The InChIKey is QUAXEUGRJXZWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-9-4-5-10(12(13)14)11(6-9)16-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene?
2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene has a molecular weight of 223.23 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene is sourced from PubChem (CID 140975291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).