1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol

C15H13F2NO5 — CID 75402727

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol
SMILESO=[N+]([O-])c1ccccc1OCC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F2NO5/c16-15(17)23-11-7-5-10(6-8-11)13(19)9-22-14-4-2-1-3-12(14)18(20)21/h1-8,13,15,19H,9H2
InChIKeyGQINDKDPNMXMEX-UHFFFAOYSA-N
MW325.27 g/mol
LogP3.31
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol

1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol (PubChem CID 75402727) has the molecular formula C15H13F2NO5 and a molecular weight of 325.27 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol
PubChem CID75402727
Molecular FormulaC15H13F2NO5
Molecular Weight325.27 g/mol
Exact Mass325.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol
SMILESO=[N+]([O-])c1ccccc1OCC(O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H13F2NO5/c16-15(17)23-11-7-5-10(6-8-11)13(19)9-22-14-4-2-1-3-12(14)18(20)21/h1-8,13,15,19H,9H2
InChIKeyGQINDKDPNMXMEX-UHFFFAOYSA-N
XLogP3.31
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 53.31
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-(4-bromophenyl)-2-(2-nitrophenoxy)ethanol
CID 110884570
1-(4-fluorophenyl)-2-(2-methyl-3-nitrophenoxy)ethanol
CID 109415938
1-(difluoromethoxy)-2-nitrobenzene;2-nitrophenol
CID 141028739
1-(2,5-difluorophenyl)-2-(2-nitrophenoxy)ethanol
CID 109412945
1-[2-(difluoromethoxy)phenoxy]-2-nitrobenzene
CID 131855225
2-(5-bromo-2-nitrophenoxy)-1-phenylethanol
CID 67246445
4-(2-hydroxy-2-phenylethoxy)-3-nitrobenzaldehyde
CID 60884801
2-[4-(aminomethyl)-2-nitrophenoxy]-1-phenylethanol
CID 60880014
2-[5-(dimethylamino)-2-nitrophenoxy]-1-(4-fluorophenyl)ethanol
CID 109417053
(E)-1-[4-(difluoromethoxy)phenyl]-3-[5-[(2-nitrophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19542852
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol (CID 75402727) is 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol is O=[N+]([O-])c1ccccc1OCC(O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol?
The InChIKey is GQINDKDPNMXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO5/c16-15(17)23-11-7-5-10(6-8-11)13(19)9-22-14-4-2-1-3-12(14)18(20)21/h1-8,13,15,19H,9H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol?
1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol has a molecular weight of 325.27 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(2-nitrophenoxy)ethanol is sourced from PubChem (CID 75402727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).