2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol

C15H15NO4 — CID 107709663

IUPAC2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol
SMILESCc1cccc([N+](=O)[O-])c1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H15NO4/c1-11-3-2-4-14(16(18)19)15(11)20-13-7-5-12(6-8-13)9-10-17/h2-8,17H,9-10H2,1H3
InChIKeyQOYMWKQJVWNGOQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol

2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol (PubChem CID 107709663) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol
PubChem CID107709663
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol
SMILESCc1cccc([N+](=O)[O-])c1Oc1ccc(CCO)cc1
InChIInChI=1S/C15H15NO4/c1-11-3-2-4-14(16(18)19)15(11)20-13-7-5-12(6-8-13)9-10-17/h2-8,17H,9-10H2,1H3
InChIKeyQOYMWKQJVWNGOQ-UHFFFAOYSA-N
XLogP3.23
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
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

[3-(2-methyl-6-nitrophenoxy)phenyl]methanol
CID 115553970
2-[4-[(2-methyl-3-nitrophenyl)methoxy]phenyl]ethanol
CID 103844529
2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 107709582
2-[4-(bromomethyl)-3-methylphenoxy]-1-methyl-3-nitrobenzene
CID 107089041
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940584
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide
CID 150262373
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103938047
4-[4-(2-hydroxyethyl)phenoxy]-2-nitrobenzonitrile
CID 107708799
2-[4-[(3-nitro-4-pyridinyl)oxy]phenyl]ethanol
CID 107709588
1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83123552
2-(2-bromophenoxy)-1-methyl-3-nitrobenzene
CID 113333873

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol (CID 107709663) is 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol is Cc1cccc([N+](=O)[O-])c1Oc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol?
The InChIKey is QOYMWKQJVWNGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11-3-2-4-14(16(18)19)15(11)20-13-7-5-12(6-8-13)9-10-17/h2-8,17H,9-10H2,1H3.
What are the key properties of 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol?
2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol has a molecular weight of 273.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-6-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 107709663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).