2-[(4-nitrophenyl)methoxy]-2-phenylethanol

C15H15NO4 — CID 70261241

IUPAC2-[(4-nitrophenyl)methoxy]-2-phenylethanol
SMILESO=[N+]([O-])c1ccc(COC(CO)c2ccccc2)cc1
InChIInChI=1S/C15H15NO4/c17-10-15(13-4-2-1-3-5-13)20-11-12-6-8-14(9-7-12)16(18)19/h1-9,15,17H,10-11H2
InChIKeyPOIULBHBZJOKKG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.85
Rot. Bonds6

About 2-[(4-nitrophenyl)methoxy]-2-phenylethanol

2-[(4-nitrophenyl)methoxy]-2-phenylethanol (PubChem CID 70261241) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methoxy]-2-phenylethanol.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methoxy]-2-phenylethanol
PubChem CID70261241
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[(4-nitrophenyl)methoxy]-2-phenylethanol
SMILESO=[N+]([O-])c1ccc(COC(CO)c2ccccc2)cc1
InChIInChI=1S/C15H15NO4/c17-10-15(13-4-2-1-3-5-13)20-11-12-6-8-14(9-7-12)16(18)19/h1-9,15,17H,10-11H2
InChIKeyPOIULBHBZJOKKG-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

[(1S)-2-(4-nitrophenyl)-1-phenylethyl] hydrogen carbonate
CID 155682316
2-methyl-1-[2-[(4-nitrophenyl)methoxy]-2-phenylethyl]benzimidazole
CID 138403065
2-(4-chlorophenyl)-2-phenylmethoxyethanol
CID 15497795
(3S,4S)-4-hydroxy-4-(4-nitrophenyl)-3-phenylmethoxybutan-2-one
CID 102383826
5-methyl-1-[(4-nitrophenyl)methoxy]hexane-1,2,3,4,6-pentol
CID 139313609
1-ethyl-4-nitrobenzene;1-phenylethylbenzene
CID 145486394
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
(4-nitrophenyl)methyl N-(2-chloro-2-oxo-1-phenylethyl)carbamate
CID 88756555
3,5-dinitrobenzoic acid;(2R)-2-phenylmethoxypropan-1-ol
CID 71407886
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(2S,3R)-3-(4-nitrophenoxy)-3-phenylpropane-1,2-diol
CID 102380116
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methoxy]-2-phenylethanol?
The IUPAC name of 2-[(4-nitrophenyl)methoxy]-2-phenylethanol (CID 70261241) is 2-[(4-nitrophenyl)methoxy]-2-phenylethanol.
What is the SMILES notation for 2-[(4-nitrophenyl)methoxy]-2-phenylethanol?
The canonical SMILES for 2-[(4-nitrophenyl)methoxy]-2-phenylethanol is O=[N+]([O-])c1ccc(COC(CO)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methoxy]-2-phenylethanol?
The InChIKey is POIULBHBZJOKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-10-15(13-4-2-1-3-5-13)20-11-12-6-8-14(9-7-12)16(18)19/h1-9,15,17H,10-11H2.
What are the key properties of 2-[(4-nitrophenyl)methoxy]-2-phenylethanol?
2-[(4-nitrophenyl)methoxy]-2-phenylethanol has a molecular weight of 273.29 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methoxy]-2-phenylethanol is sourced from PubChem (CID 70261241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).