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

C13H10ClNO4 — CID 62304673

IUPAC[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Oc1ccccc1CO
InChIInChI=1S/C13H10ClNO4/c14-10-5-6-11(15(17)18)13(7-10)19-12-4-2-1-3-9(12)8-16/h1-7,16H,8H2
InChIKeyBYPLOGUIBLLWNX-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.53
Rot. Bonds4

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

[2-(5-chloro-2-nitrophenoxy)phenyl]methanol (PubChem CID 62304673) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is [2-(5-chloro-2-nitrophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
PubChem CID62304673
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Oc1ccccc1CO
InChIInChI=1S/C13H10ClNO4/c14-10-5-6-11(15(17)18)13(7-10)19-12-4-2-1-3-9(12)8-16/h1-7,16H,8H2
InChIKeyBYPLOGUIBLLWNX-UHFFFAOYSA-N
XLogP3.53
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.53
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

[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
3-[2-(hydroxymethyl)phenoxy]-4-nitrobenzamide
CID 107713461
[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 81151308
1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-one
CID 115994733
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
[4-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanol
CID 107717309
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63681354
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
CID 63078114
2-[4-chloro-2-(chloromethyl)phenoxy]-4-methoxy-1-nitrobenzene
CID 102702832
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942
(1S)-1-[2-(5-chloro-2-nitrophenoxy)phenyl]propan-1-amine
CID 103959372

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-nitrophenoxy)phenyl]methanol?
The IUPAC name of [2-(5-chloro-2-nitrophenoxy)phenyl]methanol (CID 62304673) is [2-(5-chloro-2-nitrophenoxy)phenyl]methanol.
What is the SMILES notation for [2-(5-chloro-2-nitrophenoxy)phenyl]methanol?
The canonical SMILES for [2-(5-chloro-2-nitrophenoxy)phenyl]methanol is O=[N+]([O-])c1ccc(Cl)cc1Oc1ccccc1CO.
What is the InChIKey of [2-(5-chloro-2-nitrophenoxy)phenyl]methanol?
The InChIKey is BYPLOGUIBLLWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c14-10-5-6-11(15(17)18)13(7-10)19-12-4-2-1-3-9(12)8-16/h1-7,16H,8H2.
What are the key properties of [2-(5-chloro-2-nitrophenoxy)phenyl]methanol?
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol has a molecular weight of 279.68 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-nitrophenoxy)phenyl]methanol is sourced from PubChem (CID 62304673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).