3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol

C14H12FNO4 — CID 144785084

IUPAC3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol
SMILESCc1c(O)ccc(OCc2ccccc2[N+](=O)[O-])c1F
InChIInChI=1S/C14H12FNO4/c1-9-12(17)6-7-13(14(9)15)20-8-10-4-2-3-5-11(10)16(18)19/h2-7,17H,8H2,1H3
InChIKeyODONGIWKQVTISA-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.33
Rot. Bonds4

About 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol

3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol (PubChem CID 144785084) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol
PubChem CID144785084
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol
SMILESCc1c(O)ccc(OCc2ccccc2[N+](=O)[O-])c1F
InChIInChI=1S/C14H12FNO4/c1-9-12(17)6-7-13(14(9)15)20-8-10-4-2-3-5-11(10)16(18)19/h2-7,17H,8H2,1H3
InChIKeyODONGIWKQVTISA-UHFFFAOYSA-N
XLogP3.33
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.33
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-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
4-hydroxy-3-[(2-nitrophenyl)methoxy]benzaldehyde
CID 158803973
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
4-bromo-2-fluoro-1-[(2-nitrophenyl)methoxy]benzene
CID 112788058
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 118967411
2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene
CID 107661881
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol?
The IUPAC name of 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol (CID 144785084) is 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol.
What is the SMILES notation for 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol?
The canonical SMILES for 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol is Cc1c(O)ccc(OCc2ccccc2[N+](=O)[O-])c1F.
What is the InChIKey of 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol?
The InChIKey is ODONGIWKQVTISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-9-12(17)6-7-13(14(9)15)20-8-10-4-2-3-5-11(10)16(18)19/h2-7,17H,8H2,1H3.
What are the key properties of 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol?
3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol has a molecular weight of 277.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-[(2-nitrophenyl)methoxy]phenol is sourced from PubChem (CID 144785084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).