2-[(2-fluoro-3-nitrophenyl)methoxy]phenol

C13H10FNO4 — CID 107349940

IUPAC2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
SMILESO=[N+]([O-])c1cccc(COc2ccccc2O)c1F
InChIInChI=1S/C13H10FNO4/c14-13-9(4-3-5-10(13)15(17)18)8-19-12-7-2-1-6-11(12)16/h1-7,16H,8H2
InChIKeyRTXRYSHXLUEWGM-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.02
Rot. Bonds4

About 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol

2-[(2-fluoro-3-nitrophenyl)methoxy]phenol (PubChem CID 107349940) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol.

Molecular Properties

Compound Name2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
PubChem CID107349940
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
SMILESO=[N+]([O-])c1cccc(COc2ccccc2O)c1F
InChIInChI=1S/C13H10FNO4/c14-13-9(4-3-5-10(13)15(17)18)8-19-12-7-2-1-6-11(12)16/h1-7,16H,8H2
InChIKeyRTXRYSHXLUEWGM-UHFFFAOYSA-N
XLogP3.02
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.02
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

2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107348702
3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol
CID 144785084
[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol
CID 107349865
2-fluoro-1-[(4-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348730
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
2-[(2-fluorophenoxy)methyl]-6-nitrobenzoic acid
CID 104825111
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol?
The IUPAC name of 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol (CID 107349940) is 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol.
What is the SMILES notation for 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol?
The canonical SMILES for 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol is O=[N+]([O-])c1cccc(COc2ccccc2O)c1F.
What is the InChIKey of 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol?
The InChIKey is RTXRYSHXLUEWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c14-13-9(4-3-5-10(13)15(17)18)8-19-12-7-2-1-6-11(12)16/h1-7,16H,8H2.
What are the key properties of 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol?
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol has a molecular weight of 263.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-nitrophenyl)methoxy]phenol is sourced from PubChem (CID 107349940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).