[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol

C14H11F2NO4 — CID 105404143

IUPAC[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C14H11F2NO4/c15-11-3-10(4-12(16)6-11)8-21-14-5-9(7-18)1-2-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyASZIHEFRAQUBMV-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.94
Rot. Bonds5

About [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol

[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol (PubChem CID 105404143) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
PubChem CID105404143
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)cc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C14H11F2NO4/c15-11-3-10(4-12(16)6-11)8-21-14-5-9(7-18)1-2-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyASZIHEFRAQUBMV-UHFFFAOYSA-N
XLogP2.94
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.94
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

[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[3-[(4-bromophenyl)methoxy]-4-nitrophenyl]methanol
CID 62115919
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 114850111
[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 62116426
[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol
CID 115980729
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
3-[[4-(hydroxymethyl)phenyl]methoxy]-4-nitrobenzaldehyde
CID 115969403
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
(4-nitro-3-pentoxyphenyl)methanol
CID 62115918
3-[(4-fluorophenyl)methoxy]-4-nitrobenzaldehyde
CID 62116586
4-fluoro-2-[(4-methoxyphenyl)methoxy]-1-nitrobenzene
CID 112722723
[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513

Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol?
The IUPAC name of [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol (CID 105404143) is [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol.
What is the SMILES notation for [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol?
The canonical SMILES for [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol is O=[N+]([O-])c1ccc(CO)cc1OCc1cc(F)cc(F)c1.
What is the InChIKey of [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol?
The InChIKey is ASZIHEFRAQUBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c15-11-3-10(4-12(16)6-11)8-21-14-5-9(7-18)1-2-13(14)17(19)20/h1-6,18H,7-8H2.
What are the key properties of [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol?
[3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol has a molecular weight of 295.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-difluorophenyl)methoxy]-4-nitrophenyl]methanol is sourced from PubChem (CID 105404143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).