[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol

C13H9Cl2NO4 — CID 28964082

IUPAC[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2NO4/c14-9-2-3-10(15)13(6-9)20-12-4-1-8(7-17)5-11(12)16(18)19/h1-6,17H,7H2
InChIKeyBUFNZRDIUASEQL-UHFFFAOYSA-N
MW314.12 g/mol
LogP4.19
Rot. Bonds4

About [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol

[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol (PubChem CID 28964082) has the molecular formula C13H9Cl2NO4 and a molecular weight of 314.12 g/mol. Its IUPAC name is [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
PubChem CID28964082
Molecular FormulaC13H9Cl2NO4
Molecular Weight314.12 g/mol
Exact Mass312.99
IUPAC Name[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
SMILESO=[N+]([O-])c1cc(CO)ccc1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2NO4/c14-9-2-3-10(15)13(6-9)20-12-4-1-8(7-17)5-11(12)16(18)19/h1-6,17H,7H2
InChIKeyBUFNZRDIUASEQL-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

[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 81151308
[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
CID 62122577
[4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol
CID 107500272
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
[4-[2-(hydroxymethyl)phenoxy]-3-nitrophenyl]methanol
CID 63653967
1,2,4-trichloro-5-[4-(chloromethyl)-2-nitrophenoxy]benzene
CID 28964661
[4-(2,5-dimethylphenoxy)-3-nitrophenyl]methanol
CID 28964150
4-(2,5-dichlorophenoxy)-3-nitropyridine
CID 52840234
[4-(2-methylsulfanylphenoxy)-3-nitrophenyl]methanol
CID 63648194
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
CID 63078114
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
[5-chloro-2-(4-methoxy-2-nitrophenoxy)phenyl]methanol
CID 114846138

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol?
The IUPAC name of [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol (CID 28964082) is [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol.
What is the SMILES notation for [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol?
The canonical SMILES for [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol is O=[N+]([O-])c1cc(CO)ccc1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol?
The InChIKey is BUFNZRDIUASEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4/c14-9-2-3-10(15)13(6-9)20-12-4-1-8(7-17)5-11(12)16(18)19/h1-6,17H,7H2.
What are the key properties of [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol?
[4-(2,5-dichlorophenoxy)-3-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 [4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol is sourced from PubChem (CID 28964082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).