2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol

C16H17NO4 — CID 107713105

IUPAC2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
SMILESO=[N+]([O-])c1ccc(CCOc2ccccc2CCO)cc1
InChIInChI=1S/C16H17NO4/c18-11-9-14-3-1-2-4-16(14)21-12-10-13-5-7-15(8-6-13)17(19)20/h1-8,18H,9-12H2
InChIKeySQNLTCZGYNXIMR-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.75
Rot. Bonds7

About 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol

2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol (PubChem CID 107713105) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
PubChem CID107713105
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
SMILESO=[N+]([O-])c1ccc(CCOc2ccccc2CCO)cc1
InChIInChI=1S/C16H17NO4/c18-11-9-14-3-1-2-4-16(14)21-12-10-13-5-7-15(8-6-13)17(19)20/h1-8,18H,9-12H2
InChIKeySQNLTCZGYNXIMR-UHFFFAOYSA-N
XLogP2.75
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.75
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-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107713184
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
CID 43520078
1-[2-(4-nitrophenyl)ethoxy]-2-propan-2-ylbenzene
CID 64764022
[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 114320497
2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol
CID 107713238
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
2-[2-[(4-amino-3-nitrophenyl)methoxy]phenyl]ethanol
CID 107714075
[3-bromo-2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 61391744
2-[2-(4-nitrophenyl)ethoxy]pyridine
CID 70249907
N-methyl-1-[5-nitro-2-(2-phenylethoxy)phenyl]methanamine
CID 43472675
bis[2-(4-nitrophenyl)ethyl] hydrogen phosphate
CID 11294928

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol (CID 107713105) is 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol is O=[N+]([O-])c1ccc(CCOc2ccccc2CCO)cc1.
What is the InChIKey of 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol?
The InChIKey is SQNLTCZGYNXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-11-9-14-3-1-2-4-16(14)21-12-10-13-5-7-15(8-6-13)17(19)20/h1-8,18H,9-12H2.
What are the key properties of 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol?
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol has a molecular weight of 287.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 107713105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).