[4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol

C13H8Cl2FNO4 — CID 107500272

IUPAC[4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1ccc(CO)cc1F
InChIInChI=1S/C13H8Cl2FNO4/c14-8-4-11(17(19)20)13(5-9(8)15)21-12-2-1-7(6-18)3-10(12)16/h1-5,18H,6H2
InChIKeyHBSSXBXIRNMJRC-UHFFFAOYSA-N
MW332.11 g/mol
LogP4.33
Rot. Bonds4

About [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol

[4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol (PubChem CID 107500272) has the molecular formula C13H8Cl2FNO4 and a molecular weight of 332.11 g/mol. Its IUPAC name is [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol
PubChem CID107500272
Molecular FormulaC13H8Cl2FNO4
Molecular Weight332.11 g/mol
Exact Mass330.98
IUPAC Name[4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1ccc(CO)cc1F
InChIInChI=1S/C13H8Cl2FNO4/c14-8-4-11(17(19)20)13(5-9(8)15)21-12-2-1-7(6-18)3-10(12)16/h1-5,18H,6H2
InChIKeyHBSSXBXIRNMJRC-UHFFFAOYSA-N
XLogP4.33
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.11
LogP ≤ 54.33
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-[4-(bromomethyl)-2-fluorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500397
[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 81151308
[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
CID 28964082
1-[4-(bromomethyl)-2-chlorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500407
[4-(4-chloro-2-nitrophenoxy)-3-methylphenyl]methanol
CID 62122577
4-(bromomethyl)-1-(5-chloro-2-nitrophenoxy)-2-fluorobenzene
CID 107088334
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
CID 63078114
1,2-dichloro-4-[4-(chloromethyl)-2-methylphenoxy]-5-nitrobenzene
CID 107500402
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336
1,2,4-trichloro-5-[4-(chloromethyl)-2-nitrophenoxy]benzene
CID 28964661
4-(bromomethyl)-1-(4-bromo-2-nitrophenoxy)-2-fluorobenzene
CID 107088741

Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol?
The IUPAC name of [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol (CID 107500272) is [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol is O=[N+]([O-])c1cc(Cl)c(Cl)cc1Oc1ccc(CO)cc1F.
What is the InChIKey of [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol?
The InChIKey is HBSSXBXIRNMJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO4/c14-8-4-11(17(19)20)13(5-9(8)15)21-12-2-1-7(6-18)3-10(12)16/h1-5,18H,6H2.
What are the key properties of [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol?
[4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol has a molecular weight of 332.11 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol is sourced from PubChem (CID 107500272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).