2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol

C16H17NO5 — CID 110891830

IUPAC2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
SMILESCc1c(COc2ccccc2OCCO)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H17NO5/c1-12-13(5-4-6-14(12)17(19)20)11-22-16-8-3-2-7-15(16)21-10-9-18/h2-8,18H,9-11H2,1H3
InChIKeyYNEDEWWSEHHHOS-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.85
Rot. Bonds7

About 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol

2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol (PubChem CID 110891830) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
PubChem CID110891830
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
SMILESCc1c(COc2ccccc2OCCO)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H17NO5/c1-12-13(5-4-6-14(12)17(19)20)11-22-16-8-3-2-7-15(16)21-10-9-18/h2-8,18H,9-11H2,1H3
InChIKeyYNEDEWWSEHHHOS-UHFFFAOYSA-N
XLogP2.85
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
2-[4-[(2-methyl-3-nitrophenyl)methoxy]phenyl]ethanol
CID 103844529
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
2-(hydroxymethyl)-5-[(2-methyl-3-nitrophenyl)methoxy]pyran-4-one
CID 79871487
2-[(2-methyl-3-nitrophenoxy)methyl]benzonitrile
CID 47214179
1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene
CID 15058786
[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
CID 114318299
3-[(2-methyl-3-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 63336186
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-4-carboxylic acid
CID 81439548
3-(2-nitrophenoxy)propan-1-ol
CID 18791292

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol?
The IUPAC name of 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol (CID 110891830) is 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol?
The canonical SMILES for 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol is Cc1c(COc2ccccc2OCCO)cccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol?
The InChIKey is YNEDEWWSEHHHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-12-13(5-4-6-14(12)17(19)20)11-22-16-8-3-2-7-15(16)21-10-9-18/h2-8,18H,9-11H2,1H3.
What are the key properties of 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol?
2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol has a molecular weight of 303.31 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol is sourced from PubChem (CID 110891830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).