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

C15H15NO4 — CID 43520060

IUPAC[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(CCOc2ccccc2CO)cc1
InChIInChI=1S/C15H15NO4/c17-11-13-3-1-2-4-15(13)20-10-9-12-5-7-14(8-6-12)16(18)19/h1-8,17H,9-11H2
InChIKeyGHSPMSBUGYAEHK-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.71
Rot. Bonds6

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

[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol (PubChem CID 43520060) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
PubChem CID43520060
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
SMILESO=[N+]([O-])c1ccc(CCOc2ccccc2CO)cc1
InChIInChI=1S/C15H15NO4/c17-11-13-3-1-2-4-15(13)20-10-9-12-5-7-14(8-6-12)16(18)19/h1-8,17H,9-11H2
InChIKeyGHSPMSBUGYAEHK-UHFFFAOYSA-N
XLogP2.71
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.71
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-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105
[3-bromo-2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 61391744
[2-chloro-6-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 114320497
2-methyl-3-[2-(4-nitrophenyl)ethoxy]phenol
CID 43520078
1-[2-(4-nitrophenyl)ethoxy]-2-propan-2-ylbenzene
CID 64764022
2-[2-(4-nitrophenyl)ethoxy]pyridine
CID 70249907
[3-nitro-4-(2-phenylethoxy)phenyl]methanol
CID 29003909
N-methyl-1-[5-nitro-2-(2-phenylethoxy)phenyl]methanamine
CID 43472675
bis[2-(4-nitrophenyl)ethyl] hydrogen phosphate
CID 11294928
2-[2-(4-nitrophenoxy)ethyl]phenol
CID 71616729
N-methyl-N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenyl)ethanamine
CID 11002610
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol?
The IUPAC name of [2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol (CID 43520060) is [2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol.
What is the SMILES notation for [2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol?
The canonical SMILES for [2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol is O=[N+]([O-])c1ccc(CCOc2ccccc2CO)cc1.
What is the InChIKey of [2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol?
The InChIKey is GHSPMSBUGYAEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-11-13-3-1-2-4-15(13)20-10-9-12-5-7-14(8-6-12)16(18)19/h1-8,17H,9-11H2.
What are the key properties of [2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol?
[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol has a molecular weight of 273.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol is sourced from PubChem (CID 43520060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).