[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol

C14H11F2NO4 — CID 114930513

IUPAC[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C14H11F2NO4/c15-11-2-1-3-12(16)10(11)8-21-14-5-4-9(7-18)6-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyNURJKJMSAWKXDD-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.94
Rot. Bonds5

About [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol

[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol (PubChem CID 114930513) has the molecular formula C14H11F2NO4 and a molecular weight of 295.24 g/mol. Its IUPAC name is [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
PubChem CID114930513
Molecular FormulaC14H11F2NO4
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1OCc1c(F)cccc1F
InChIInChI=1S/C14H11F2NO4/c15-11-2-1-3-12(16)10(11)8-21-14-5-4-9(7-18)6-13(14)17(19)20/h1-6,18H,7-8H2
InChIKeyNURJKJMSAWKXDD-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-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 62116426
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
2-[[5-(bromomethyl)-2-nitrophenoxy]methyl]-1,3-difluorobenzene
CID 114930608
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
CID 43137760
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258
2-[[4-(hydroxymethyl)-2-nitrophenoxy]methyl]benzonitrile
CID 43319804
[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 102881576
1-[[4-(bromomethyl)-2-nitrophenoxy]methyl]-2,3-difluorobenzene
CID 43659005
[3-nitro-4-(2-phenylethoxy)phenyl]methanol
CID 29003909
[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 115982092

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol (CID 114930513) is [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol is O=[N+]([O-])c1cc(CO)ccc1OCc1c(F)cccc1F.
What is the InChIKey of [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol?
The InChIKey is NURJKJMSAWKXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO4/c15-11-2-1-3-12(16)10(11)8-21-14-5-4-9(7-18)6-13(14)17(19)20/h1-6,18H,7-8H2.
What are the key properties of [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol?
[4-[(2,6-difluorophenyl)methoxy]-3-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 [4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 114930513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).