2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol

C15H16N2O4 — CID 107714075

IUPAC2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol
SMILESNc1ccc(COc2ccccc2CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c16-13-6-5-11(9-14(13)17(19)20)10-21-15-4-2-1-3-12(15)7-8-18/h1-6,9,18H,7-8,10,16H2
InChIKeyKZOVPENKUDCEKS-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.29
Rot. Bonds6

About 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol

2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol (PubChem CID 107714075) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol
PubChem CID107714075
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol
SMILESNc1ccc(COc2ccccc2CCO)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c16-13-6-5-11(9-14(13)17(19)20)10-21-15-4-2-1-3-12(15)7-8-18/h1-6,9,18H,7-8,10,16H2
InChIKeyKZOVPENKUDCEKS-UHFFFAOYSA-N
XLogP2.29
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-[2-[(4-amino-3-fluorophenyl)methoxy]phenyl]ethanol
CID 107712163
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105
2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol
CID 107713238
2-[2-[[4-(aminomethyl)phenyl]methoxy]phenyl]ethanol
CID 107712248
4-[(2-methoxy-4-methylphenoxy)methyl]-2-nitroaniline
CID 62195314
4-[(3-ethoxyphenoxy)methyl]-2-nitroaniline
CID 62335610
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
3-[[2-(2-hydroxyethyl)phenoxy]methyl]benzenecarbothioamide
CID 107712511
2-[4-(2-hydroxyethyl)-3-nitrophenyl]ethanol;methane
CID 146240647
4-[(4-fluorophenyl)methoxy]-2-nitroaniline
CID 69306114
4-[(4-methylsulfanylphenoxy)methyl]-2-nitroaniline
CID 63649231
3-[2-(2-hydroxyethyl)phenoxy]-4-nitrobenzonitrile
CID 107713623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol (CID 107714075) is 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol is Nc1ccc(COc2ccccc2CCO)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol?
The InChIKey is KZOVPENKUDCEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c16-13-6-5-11(9-14(13)17(19)20)10-21-15-4-2-1-3-12(15)7-8-18/h1-6,9,18H,7-8,10,16H2.
What are the key properties of 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol?
2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol has a molecular weight of 288.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107714075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).