1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol

C15H15NO5 — CID 103201806

IUPAC1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
SMILESCOc1ccc(Oc2ccc(C(C)O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO5/c1-10(17)11-3-5-12(6-4-11)21-13-7-8-15(20-2)14(9-13)16(18)19/h3-10,17H,1-2H3
InChIKeyXDOBTFFDXSGHQB-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.45
Rot. Bonds5

About 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol

1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol (PubChem CID 103201806) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
PubChem CID103201806
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
SMILESCOc1ccc(Oc2ccc(C(C)O)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO5/c1-10(17)11-3-5-12(6-4-11)21-13-7-8-15(20-2)14(9-13)16(18)19/h3-10,17H,1-2H3
InChIKeyXDOBTFFDXSGHQB-UHFFFAOYSA-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

(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201808
4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
CID 103201761
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanol
CID 43506318
4-[4-(1-hydroxyethyl)phenoxy]-3-nitrobenzonitrile
CID 60723698
(1R)-1-[4-(4-methylsulfanylphenoxy)-3-nitrophenyl]ethanol
CID 63647157
(1S)-1-[4-(5-chloro-2-nitrophenoxy)phenyl]ethanol
CID 63374746
(1S)-1-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]ethanol
CID 78938640
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
(1R)-1-[4-(3,5-dimethylphenoxy)-3-nitrophenyl]ethanol
CID 63372315
(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
CID 103201771
(1S,2R)-1-amino-1-(4-methoxy-3-nitrophenyl)-3-methylpentan-2-ol
CID 171267602

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol (CID 103201806) is 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol is COc1ccc(Oc2ccc(C(C)O)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol?
The InChIKey is XDOBTFFDXSGHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-10(17)11-3-5-12(6-4-11)21-13-7-8-15(20-2)14(9-13)16(18)19/h3-10,17H,1-2H3.
What are the key properties of 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol?
1-[4-(4-methoxy-3-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 1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 103201806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).