(4-fluoro-3-nitrophenyl)methanol

C7H6FNO3 — CID 4167587

IUPAC(4-fluoro-3-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1F
InChIInChI=1S/C7H6FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2
InChIKeyMKWJZTFMDWSRIH-UHFFFAOYSA-N
MW171.13 g/mol
LogP1.23
Rot. Bonds2

About (4-fluoro-3-nitrophenyl)methanol

(4-fluoro-3-nitrophenyl)methanol (PubChem CID 4167587) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is (4-fluoro-3-nitrophenyl)methanol.

Molecular Properties

Compound Name(4-fluoro-3-nitrophenyl)methanol
PubChem CID4167587
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name(4-fluoro-3-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1F
InChIInChI=1S/C7H6FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2
InChIKeyMKWJZTFMDWSRIH-UHFFFAOYSA-N
XLogP1.23
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-nitrophenyl)methanol?
The IUPAC name of (4-fluoro-3-nitrophenyl)methanol (CID 4167587) is (4-fluoro-3-nitrophenyl)methanol.
What is the SMILES notation for (4-fluoro-3-nitrophenyl)methanol?
The canonical SMILES for (4-fluoro-3-nitrophenyl)methanol is O=[N+]([O-])c1cc(CO)ccc1F.
What is the InChIKey of (4-fluoro-3-nitrophenyl)methanol?
The InChIKey is MKWJZTFMDWSRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2.
What are the key properties of (4-fluoro-3-nitrophenyl)methanol?
(4-fluoro-3-nitrophenyl)methanol has a molecular weight of 171.13 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-nitrophenyl)methanol is sourced from PubChem (CID 4167587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).