[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol

C13H9Cl2NO4 — CID 43622036

IUPAC[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(CO)c1
InChIInChI=1S/C13H9Cl2NO4/c14-9-4-10(15)6-12(5-9)20-13-2-1-11(16(18)19)3-8(13)7-17/h1-6,17H,7H2
InChIKeyKTXISKGWBGLFIW-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.19
Rot. Bonds4

About [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol

[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol (PubChem CID 43622036) has the molecular formula C13H9Cl2NO4 and a molecular weight of 314.12 g/mol. Its IUPAC name is [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
PubChem CID43622036
Molecular FormulaC13H9Cl2NO4
Molecular Weight314.12 g/mol
Exact Mass312.99
IUPAC Name[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(CO)c1
InChIInChI=1S/C13H9Cl2NO4/c14-9-4-10(15)6-12(5-9)20-13-2-1-11(16(18)19)3-8(13)7-17/h1-6,17H,7H2
InChIKeyKTXISKGWBGLFIW-UHFFFAOYSA-N
XLogP4.19
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.12
LogP ≤ 54.19
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-(4-chloro-3-fluorophenoxy)-5-nitrophenyl]methanol
CID 82716426
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
2-(chloromethyl)-1-(3-chlorophenoxy)-4-nitrobenzene
CID 28964841
[5-bromo-2-(4-nitrophenoxy)phenyl]methanol
CID 103600418
[2-(2-chloro-4-nitrophenoxy)-5-fluorophenyl]methanol
CID 61030555
[2-(1-methylpyrazol-4-yl)oxy-5-nitrophenyl]methanol
CID 116793025
[2-(2-fluorophenoxy)-5-nitrophenyl]methanol
CID 28964127
[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472956
[2-(4-bromo-2-methylphenoxy)-5-nitrophenyl]methanol
CID 63216881
2-[2-(hydroxymethyl)-4-nitrophenoxy]acetamide
CID 43472920
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
2-(3,5-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]-N-methyl-5-nitrobenzenesulfonamide
CID 59260852

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol?
The IUPAC name of [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol (CID 43622036) is [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol.
What is the SMILES notation for [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol?
The canonical SMILES for [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol is O=[N+]([O-])c1ccc(Oc2cc(Cl)cc(Cl)c2)c(CO)c1.
What is the InChIKey of [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol?
The InChIKey is KTXISKGWBGLFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4/c14-9-4-10(15)6-12(5-9)20-13-2-1-11(16(18)19)3-8(13)7-17/h1-6,17H,7H2.
What are the key properties of [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol?
[2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol has a molecular weight of 314.12 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenoxy)-5-nitrophenyl]methanol is sourced from PubChem (CID 43622036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).