(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol

C15H15NO5 — CID 78938858

IUPAC(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1ccccc1[C@@H](C)O
InChIInChI=1S/C15H15NO5/c1-10(17)12-5-3-4-6-13(12)21-15-9-11(16(18)19)7-8-14(15)20-2/h3-10,17H,1-2H3/t10-/m1/s1
InChIKeyJWYQITAXUHMNCP-SNVBAGLBSA-N
MW289.29 g/mol
LogP3.45
Rot. Bonds5

About (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol

(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol (PubChem CID 78938858) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol
PubChem CID78938858
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1ccccc1[C@@H](C)O
InChIInChI=1S/C15H15NO5/c1-10(17)12-5-3-4-6-13(12)21-15-9-11(16(18)19)7-8-14(15)20-2/h3-10,17H,1-2H3/t10-/m1/s1
InChIKeyJWYQITAXUHMNCP-SNVBAGLBSA-N
XLogP3.45
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-nitrophenoxy)phenyl]ethanol
CID 54915432
(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201808
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886
2-(2-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113890
(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825
2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid
CID 134869553
(1S)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 63374737
(1S)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960585
[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 61031935
(1R)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960584
1-[4-bromo-2-(2-bromo-5-nitrophenoxy)phenyl]ethanol
CID 103010874

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol (CID 78938858) is (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol is COc1ccc([N+](=O)[O-])cc1Oc1ccccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol?
The InChIKey is JWYQITAXUHMNCP-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15NO5/c1-10(17)12-5-3-4-6-13(12)21-15-9-11(16(18)19)7-8-14(15)20-2/h3-10,17H,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol?
(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol has a molecular weight of 289.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 78938858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).