[4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol

C13H9ClFIO2 — CID 177062619

IUPAC[4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol
SMILESOCc1cc(F)c(Oc2ccc(Cl)cc2)cc1I
InChIInChI=1S/C13H9ClFIO2/c14-9-1-3-10(4-2-9)18-13-6-12(16)8(7-17)5-11(13)15/h1-6,17H,7H2
InChIKeyHYMVTFKFOKVFSI-UHFFFAOYSA-N
MW378.57 g/mol
LogP4.37
Rot. Bonds3

About [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol

[4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol (PubChem CID 177062619) has the molecular formula C13H9ClFIO2 and a molecular weight of 378.57 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol
PubChem CID177062619
Molecular FormulaC13H9ClFIO2
Molecular Weight378.57 g/mol
Exact Mass377.93
IUPAC Name[4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol
SMILESOCc1cc(F)c(Oc2ccc(Cl)cc2)cc1I
InChIInChI=1S/C13H9ClFIO2/c14-9-1-3-10(4-2-9)18-13-6-12(16)8(7-17)5-11(13)15/h1-6,17H,7H2
InChIKeyHYMVTFKFOKVFSI-UHFFFAOYSA-N
XLogP4.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
tert-butyl 3-[4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 177062591
[2-bromo-4-(4-chlorophenoxy)phenyl]methanol
CID 66738685
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075
[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
CID 114846231
2-(4-chlorophenoxy)-4-[[3-(4-chlorophenoxy)-4-fluorophenyl]methoxymethyl]-1-fluorobenzene
CID 139679017
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
4-[5-chloro-2-(hydroxymethyl)phenoxy]benzonitrile
CID 114846043
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol?
The IUPAC name of [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol (CID 177062619) is [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol.
What is the SMILES notation for [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol?
The canonical SMILES for [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol is OCc1cc(F)c(Oc2ccc(Cl)cc2)cc1I.
What is the InChIKey of [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol?
The InChIKey is HYMVTFKFOKVFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFIO2/c14-9-1-3-10(4-2-9)18-13-6-12(16)8(7-17)5-11(13)15/h1-6,17H,7H2.
What are the key properties of [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol?
[4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol has a molecular weight of 378.57 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)-5-fluoro-2-iodophenyl]methanol is sourced from PubChem (CID 177062619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).