2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol

C15H15NO4 — CID 43520078

IUPAC2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
SMILESCc1c(O)cccc1OCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15NO4/c1-11-14(17)3-2-4-15(11)20-10-9-12-5-7-13(8-6-12)16(18)19/h2-8,17H,9-10H2,1H3
InChIKeyGUAJFCXQKMPZNC-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.23
Rot. Bonds5

About 2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol

2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol (PubChem CID 43520078) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol.

Molecular Properties

Compound Name2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
PubChem CID43520078
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
SMILESCc1c(O)cccc1OCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15NO4/c1-11-14(17)3-2-4-15(11)20-10-9-12-5-7-13(8-6-12)16(18)19/h2-8,17H,9-10H2,1H3
InChIKeyGUAJFCXQKMPZNC-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

[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 43520060
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105
1-[2-(4-nitrophenyl)ethoxy]-2-propan-2-ylbenzene
CID 64764022
[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 114320497
3-[(4-nitrophenyl)methoxy]benzene-1,2-diol
CID 139940676
2-methyl-3-[(5-nitro-2-pyridinyl)oxy]phenol
CID 60871042
4-methyl-3-[2-(4-nitrophenyl)ethoxy]benzonitrile
CID 107663140
N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine
CID 11002610
3-[1-(3-hydroxy-2-methylphenyl)-2-(4-nitrophenyl)ethyl]-2-methylphenol
CID 139892148
4-[2-(3-methyl-2-nitrophenoxy)ethyl]benzonitrile
CID 54524134
2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine
CID 20535520
3-(2-aminoethoxy)-2-methylphenol
CID 83620006

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol?
The IUPAC name of 2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol (CID 43520078) is 2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol.
What is the SMILES notation for 2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol?
The canonical SMILES for 2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol is Cc1c(O)cccc1OCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol?
The InChIKey is GUAJFCXQKMPZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11-14(17)3-2-4-15(11)20-10-9-12-5-7-13(8-6-12)16(18)19/h2-8,17H,9-10H2,1H3.
What are the key properties of 2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol?
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol 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-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol is sourced from PubChem (CID 43520078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).