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

C9H10BrNO4 — CID 102702616

IUPAC2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])c(OCCBr)c1
InChIInChI=1S/C9H10BrNO4/c1-14-7-2-3-8(11(12)13)9(6-7)15-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeyRLZUINZYYVVRNQ-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.38
Rot. Bonds5

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

2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene (PubChem CID 102702616) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene.

Molecular Properties

Compound Name2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
PubChem CID102702616
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])c(OCCBr)c1
InChIInChI=1S/C9H10BrNO4/c1-14-7-2-3-8(11(12)13)9(6-7)15-5-4-10/h2-3,6H,4-5H2,1H3
InChIKeyRLZUINZYYVVRNQ-UHFFFAOYSA-N
XLogP2.38
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102702530
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
4-(5-methoxy-2-nitrophenoxy)butanoic acid
CID 102702553
2-(5-methoxy-2-nitrophenoxy)ethanesulfonamide
CID 102703756
2-(cyclopropylmethoxy)-4-methoxy-1-nitrobenzene
CID 140975291
4-methoxy-1-nitro-2-prop-2-ynoxybenzene
CID 102703166
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
2,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-nitrobenzene
CID 118410599
2-(3-methoxy-4-nitrophenoxy)ethanol
CID 66759614
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
3-bromo-5-[(5-methoxy-2-nitrophenoxy)methyl]pyridine
CID 102703224

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene?
The IUPAC name of 2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene (CID 102702616) is 2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene.
What is the SMILES notation for 2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene?
The canonical SMILES for 2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene is COc1ccc([N+](=O)[O-])c(OCCBr)c1.
What is the InChIKey of 2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene?
The InChIKey is RLZUINZYYVVRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4/c1-14-7-2-3-8(11(12)13)9(6-7)15-5-4-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene?
2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene has a molecular weight of 276.09 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-4-methoxy-1-nitrobenzene is sourced from PubChem (CID 102702616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).