[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol

C14H12FNO5 — CID 103201816

IUPAC[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
SMILESCOc1ccc(Oc2ccc(F)cc2CO)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO5/c1-20-14-5-3-11(7-12(14)16(18)19)21-13-4-2-10(15)6-9(13)8-17/h2-7,17H,8H2,1H3
InChIKeyKCYYQBIEIRTENU-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.03
Rot. Bonds5

About [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol

[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol (PubChem CID 103201816) has the molecular formula C14H12FNO5 and a molecular weight of 293.25 g/mol. Its IUPAC name is [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
PubChem CID103201816
Molecular FormulaC14H12FNO5
Molecular Weight293.25 g/mol
Exact Mass293.07
IUPAC Name[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol
SMILESCOc1ccc(Oc2ccc(F)cc2CO)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12FNO5/c1-20-14-5-3-11(7-12(14)16(18)19)21-13-4-2-10(15)6-9(13)8-17/h2-7,17H,8H2,1H3
InChIKeyKCYYQBIEIRTENU-UHFFFAOYSA-N
XLogP3.03
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.03
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

[2-chloro-6-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201825
[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 63598315
[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
CID 114846138
[4-(5-fluoro-2-nitrophenoxy)-2-methylphenyl]methanol
CID 62134721
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086
(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201808
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanone
CID 103201761
4-(4-methoxy-3-nitrophenoxy)benzoic acid
CID 103201557
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555
[2-(2,6-dibromo-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 62097810
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
1-[4-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201806

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol?
The IUPAC name of [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol (CID 103201816) is [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol is COc1ccc(Oc2ccc(F)cc2CO)cc1[N+](=O)[O-].
What is the InChIKey of [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol?
The InChIKey is KCYYQBIEIRTENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5/c1-20-14-5-3-11(7-12(14)16(18)19)21-13-4-2-10(15)6-9(13)8-17/h2-7,17H,8H2,1H3.
What are the key properties of [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol?
[5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol has a molecular weight of 293.25 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(4-methoxy-3-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 103201816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).