(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol

C15H15NO5 — CID 103201808

IUPAC(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
SMILESCOc1ccc(Oc2ccccc2[C@H](C)O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO5/c1-10(17)12-5-3-4-6-14(12)21-11-7-8-15(20-2)13(9-11)16(18)19/h3-10,17H,1-2H3/t10-/m0/s1
InChIKeyXQBZPASOBPIEQJ-JTQLQIEISA-N
MW289.29 g/mol
LogP3.45
Rot. Bonds5

About (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol

(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol (PubChem CID 103201808) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
PubChem CID103201808
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
SMILESCOc1ccc(Oc2ccccc2[C@H](C)O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15NO5/c1-10(17)12-5-3-4-6-14(12)21-11-7-8-15(20-2)13(9-11)16(18)19/h3-10,17H,1-2H3/t10-/m0/s1
InChIKeyXQBZPASOBPIEQJ-JTQLQIEISA-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

(1R)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanamine
CID 103201771
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806
(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol
CID 78938858
1-[2-(3-nitrophenoxy)phenyl]ethanol
CID 54915432
(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825
(1S)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 63374737
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
[2-chloro-6-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201825
[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201816
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
1-[2-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]ethanol
CID 114417033

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol (CID 103201808) is (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol is COc1ccc(Oc2ccccc2[C@H](C)O)cc1[N+](=O)[O-].
What is the InChIKey of (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol?
The InChIKey is XQBZPASOBPIEQJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15NO5/c1-10(17)12-5-3-4-6-14(12)21-11-7-8-15(20-2)13(9-11)16(18)19/h3-10,17H,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol?
(1S)-1-[2-(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 (1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 103201808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).