1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol

C15H15NO4 — CID 43503886

IUPAC1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15NO4/c1-11(17)14-7-2-3-8-15(14)20-10-12-5-4-6-13(9-12)16(18)19/h2-9,11,17H,10H2,1H3
InChIKeyVBFMQGYPSVMHQL-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol

1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol (PubChem CID 43503886) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
PubChem CID43503886
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H15NO4/c1-11(17)14-7-2-3-8-15(14)20-10-12-5-4-6-13(9-12)16(18)19/h2-9,11,17H,10H2,1H3
InChIKeyVBFMQGYPSVMHQL-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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)-1-[4-fluoro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 78934193
(1R)-1-[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 63364333
(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
CID 104890071
1-[2-(3-nitrophenoxy)phenyl]ethanol
CID 54915432
2-[(3-nitrophenyl)methoxy]aniline
CID 55032299
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
1-[(4-nitrophenyl)methoxy]-2-propan-2-ylbenzene
CID 60627375
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol
CID 79557153
1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
CID 43503898
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
1-methyl-2-[(3-nitrophenyl)methoxy]-4-propan-2-ylbenzene
CID 78906355

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol (CID 43503886) is 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol is CC(O)c1ccccc1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol?
The InChIKey is VBFMQGYPSVMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-11(17)14-7-2-3-8-15(14)20-10-12-5-4-6-13(9-12)16(18)19/h2-9,11,17H,10H2,1H3.
What are the key properties of 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol?
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol has a molecular weight of 273.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 43503886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).