(3-fluoro-5-methoxy-4-nitrophenyl)methanol

C8H8FNO4 — CID 67256643

IUPAC(3-fluoro-5-methoxy-4-nitrophenyl)methanol
SMILESCOc1cc(CO)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H8FNO4/c1-14-7-3-5(4-11)2-6(9)8(7)10(12)13/h2-3,11H,4H2,1H3
InChIKeyXNPBMLXCHJRPBU-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.23
Rot. Bonds3

About (3-fluoro-5-methoxy-4-nitrophenyl)methanol

(3-fluoro-5-methoxy-4-nitrophenyl)methanol (PubChem CID 67256643) has the molecular formula C8H8FNO4 and a molecular weight of 201.15 g/mol. Its IUPAC name is (3-fluoro-5-methoxy-4-nitrophenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-5-methoxy-4-nitrophenyl)methanol
PubChem CID67256643
Molecular FormulaC8H8FNO4
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name(3-fluoro-5-methoxy-4-nitrophenyl)methanol
SMILESCOc1cc(CO)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H8FNO4/c1-14-7-3-5(4-11)2-6(9)8(7)10(12)13/h2-3,11H,4H2,1H3
InChIKeyXNPBMLXCHJRPBU-UHFFFAOYSA-N
XLogP1.23
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.23
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

1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
2-(3-hydroxy-5-methoxy-4-nitrophenyl)acetic acid
CID 18188085
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
1-bromo-5-fluoro-3-methoxy-2-nitrobenzene
CID 122237423
[3-(hydroxymethyl)-5-nitrophenyl]methanol
CID 603032
2-(3-fluoro-5-methoxy-N-methyl-2-nitroanilino)ethanol
CID 133381446
(3-bromo-4-fluoro-5-methoxyphenyl)methanol
CID 84698241
methyl 2-(3,5-difluoro-2-nitrophenyl)acetate
CID 121228600
6-(hydroxymethyl)-3-methoxy-2-nitrobenzonitrile
CID 171027355
3-fluoro-2-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 60579307
3,5-dimethoxy-2-nitrophenol
CID 10965507
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
CID 63078114

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methoxy-4-nitrophenyl)methanol?
The IUPAC name of (3-fluoro-5-methoxy-4-nitrophenyl)methanol (CID 67256643) is (3-fluoro-5-methoxy-4-nitrophenyl)methanol.
What is the SMILES notation for (3-fluoro-5-methoxy-4-nitrophenyl)methanol?
The canonical SMILES for (3-fluoro-5-methoxy-4-nitrophenyl)methanol is COc1cc(CO)cc(F)c1[N+](=O)[O-].
What is the InChIKey of (3-fluoro-5-methoxy-4-nitrophenyl)methanol?
The InChIKey is XNPBMLXCHJRPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4/c1-14-7-3-5(4-11)2-6(9)8(7)10(12)13/h2-3,11H,4H2,1H3.
What are the key properties of (3-fluoro-5-methoxy-4-nitrophenyl)methanol?
(3-fluoro-5-methoxy-4-nitrophenyl)methanol has a molecular weight of 201.15 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methoxy-4-nitrophenyl)methanol is sourced from PubChem (CID 67256643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).