1-(3-nitrophenoxy)-2-phenylpropan-2-ol

C15H15NO4 — CID 62373825

IUPAC1-(3-nitrophenoxy)-2-phenylpropan-2-ol
SMILESCC(O)(COc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-15(17,12-6-3-2-4-7-12)11-20-14-9-5-8-13(10-14)16(18)19/h2-10,17H,11H2,1H3
InChIKeyUZKSREPYRWZTDR-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-nitrophenoxy)-2-phenylpropan-2-ol

1-(3-nitrophenoxy)-2-phenylpropan-2-ol (PubChem CID 62373825) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(3-nitrophenoxy)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3-nitrophenoxy)-2-phenylpropan-2-ol
PubChem CID62373825
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-(3-nitrophenoxy)-2-phenylpropan-2-ol
SMILESCC(O)(COc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C15H15NO4/c1-15(17,12-6-3-2-4-7-12)11-20-14-9-5-8-13(10-14)16(18)19/h2-10,17H,11H2,1H3
InChIKeyUZKSREPYRWZTDR-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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

1-(2-methyl-5-nitrophenoxy)-2-phenylpropan-2-ol
CID 62373994
2,2-dimethyl-3-(3-nitrophenoxy)propanamide
CID 82041475
2,2-dimethyl-3-(3-nitrophenoxy)propane-1-sulfonamide
CID 64999478
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
bis(1-nitro-3-[(3-nitrophenoxy)methoxy]benzene);dihydrochloride
CID 173396711
(3-nitrophenyl)-diphenylmethanol
CID 2936242
4-[2-(3-nitrophenoxy)ethoxy]benzoic acid
CID 20991529
2-cyclopropyl-2-(methylamino)-3-(3-nitrophenoxy)propanoic acid
CID 63920708
4-(3-nitrophenoxy)butan-2-one
CID 60693072
[1-[3-(3-nitrophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol bromide
CID 11570306
1-methoxy-3-(3-nitrophenoxy)propan-2-one
CID 107508001
2-methyl-3-(3-nitrophenoxy)propan-1-ol
CID 115870764

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenoxy)-2-phenylpropan-2-ol?
The IUPAC name of 1-(3-nitrophenoxy)-2-phenylpropan-2-ol (CID 62373825) is 1-(3-nitrophenoxy)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(3-nitrophenoxy)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(3-nitrophenoxy)-2-phenylpropan-2-ol is CC(O)(COc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 1-(3-nitrophenoxy)-2-phenylpropan-2-ol?
The InChIKey is UZKSREPYRWZTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-15(17,12-6-3-2-4-7-12)11-20-14-9-5-8-13(10-14)16(18)19/h2-10,17H,11H2,1H3.
What are the key properties of 1-(3-nitrophenoxy)-2-phenylpropan-2-ol?
1-(3-nitrophenoxy)-2-phenylpropan-2-ol has a molecular weight of 273.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenoxy)-2-phenylpropan-2-ol is sourced from PubChem (CID 62373825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).