(4-fluoro-2-nitro-5-phenoxyphenyl)methanol

C13H10FNO4 — CID 59778138

IUPAC(4-fluoro-2-nitro-5-phenoxyphenyl)methanol
SMILESO=[N+]([O-])c1cc(F)c(Oc2ccccc2)cc1CO
InChIInChI=1S/C13H10FNO4/c14-11-7-12(15(17)18)9(8-16)6-13(11)19-10-4-2-1-3-5-10/h1-7,16H,8H2
InChIKeyQREGQMXJNKCMLV-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.02
Rot. Bonds4

About (4-fluoro-2-nitro-5-phenoxyphenyl)methanol

(4-fluoro-2-nitro-5-phenoxyphenyl)methanol (PubChem CID 59778138) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is (4-fluoro-2-nitro-5-phenoxyphenyl)methanol.

Molecular Properties

Compound Name(4-fluoro-2-nitro-5-phenoxyphenyl)methanol
PubChem CID59778138
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name(4-fluoro-2-nitro-5-phenoxyphenyl)methanol
SMILESO=[N+]([O-])c1cc(F)c(Oc2ccccc2)cc1CO
InChIInChI=1S/C13H10FNO4/c14-11-7-12(15(17)18)9(8-16)6-13(11)19-10-4-2-1-3-5-10/h1-7,16H,8H2
InChIKeyQREGQMXJNKCMLV-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'}

Analyze (4-fluoro-2-nitro-5-phenoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-nitronaphthalen-2-yl)methanol
CID 4076989
[2-(2,5-difluoro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 63598315
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
methyl 2-fluoro-4-nitro-5-phenoxybenzoate
CID 104699136
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
(2,4,5-trinitrophenyl)methanol
CID 53422846
1,2-dimethyl-4-nitro-5-phenoxybenzene
CID 12887119
[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63941746
[3-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869246

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-nitro-5-phenoxyphenyl)methanol?
The IUPAC name of (4-fluoro-2-nitro-5-phenoxyphenyl)methanol (CID 59778138) is (4-fluoro-2-nitro-5-phenoxyphenyl)methanol.
What is the SMILES notation for (4-fluoro-2-nitro-5-phenoxyphenyl)methanol?
The canonical SMILES for (4-fluoro-2-nitro-5-phenoxyphenyl)methanol is O=[N+]([O-])c1cc(F)c(Oc2ccccc2)cc1CO.
What is the InChIKey of (4-fluoro-2-nitro-5-phenoxyphenyl)methanol?
The InChIKey is QREGQMXJNKCMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c14-11-7-12(15(17)18)9(8-16)6-13(11)19-10-4-2-1-3-5-10/h1-7,16H,8H2.
What are the key properties of (4-fluoro-2-nitro-5-phenoxyphenyl)methanol?
(4-fluoro-2-nitro-5-phenoxyphenyl)methanol 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 (4-fluoro-2-nitro-5-phenoxyphenyl)methanol is sourced from PubChem (CID 59778138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).