[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol

C13H9ClFNO4 — CID 61031552

IUPAC[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(F)cc1Oc1cccc(Cl)c1CO
InChIInChI=1S/C13H9ClFNO4/c14-10-2-1-3-12(9(10)7-17)20-13-6-8(15)4-5-11(13)16(18)19/h1-6,17H,7H2
InChIKeyYEAPJLVIJHCOBN-UHFFFAOYSA-N
MW297.67 g/mol
LogP3.67
Rot. Bonds4

About [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol

[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol (PubChem CID 61031552) has the molecular formula C13H9ClFNO4 and a molecular weight of 297.67 g/mol. Its IUPAC name is [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
PubChem CID61031552
Molecular FormulaC13H9ClFNO4
Molecular Weight297.67 g/mol
Exact Mass297.02
IUPAC Name[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(F)cc1Oc1cccc(Cl)c1CO
InChIInChI=1S/C13H9ClFNO4/c14-10-2-1-3-12(9(10)7-17)20-13-6-8(15)4-5-11(13)16(18)19/h1-6,17H,7H2
InChIKeyYEAPJLVIJHCOBN-UHFFFAOYSA-N
XLogP3.67
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 53.67
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-chloro-2-(chloromethyl)-3-(4-fluoro-2-nitrophenoxy)benzene
CID 63568398
[2-chloro-6-(2-chloro-5-nitrophenoxy)phenyl]methanol
CID 63992960
2-[2-(chloromethyl)-4-fluorophenoxy]-4-fluoro-1-nitrobenzene
CID 61031561
[2-chloro-6-(4-methoxy-3-nitrophenoxy)phenyl]methanol
CID 103201825
3-chloro-4-(5-fluoro-2-nitrophenoxy)benzoic acid
CID 62378183
3-(3-chloro-2-fluorophenoxy)-4-nitrobenzoic acid
CID 116688858
[2-chloro-6-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 61031935
[3-[(2-chloro-6-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 62116426
1-[2-(bromomethyl)-3-chlorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500351
2-[3-(chloromethyl)phenoxy]-4-fluoro-1-nitrobenzene
CID 112594517
1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 60726170
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 62304673

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol (CID 61031552) is [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol is O=[N+]([O-])c1ccc(F)cc1Oc1cccc(Cl)c1CO.
What is the InChIKey of [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol?
The InChIKey is YEAPJLVIJHCOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO4/c14-10-2-1-3-12(9(10)7-17)20-13-6-8(15)4-5-11(13)16(18)19/h1-6,17H,7H2.
What are the key properties of [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol?
[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol has a molecular weight of 297.67 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 61031552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).