(3,5-difluorophenyl)-(3-iodophenyl)methanol

C13H9F2IO — CID 115793177

IUPAC(3,5-difluorophenyl)-(3-iodophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cccc(I)c1
InChIInChI=1S/C13H9F2IO/c14-10-4-9(5-11(15)7-10)13(17)8-2-1-3-12(16)6-8/h1-7,13,17H
InChIKeyZLKUYGKEUJCVSE-UHFFFAOYSA-N
MW346.11 g/mol
LogP3.65
Rot. Bonds2

About (3,5-difluorophenyl)-(3-iodophenyl)methanol

(3,5-difluorophenyl)-(3-iodophenyl)methanol (PubChem CID 115793177) has the molecular formula C13H9F2IO and a molecular weight of 346.11 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(3-iodophenyl)methanol.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(3-iodophenyl)methanol
PubChem CID115793177
Molecular FormulaC13H9F2IO
Molecular Weight346.11 g/mol
Exact Mass345.97
IUPAC Name(3,5-difluorophenyl)-(3-iodophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)c1cccc(I)c1
InChIInChI=1S/C13H9F2IO/c14-10-4-9(5-11(15)7-10)13(17)8-2-1-3-12(16)6-8/h1-7,13,17H
InChIKeyZLKUYGKEUJCVSE-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-(3-iodophenyl)methanol
CID 61099687
(3-chlorophenyl)-(3,5-difluorophenyl)methanol
CID 2757448
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
(3-fluoro-4-methylphenyl)-(3-iodophenyl)methanol
CID 107130674
(R)-(3-chloro-5-fluorophenyl)-(3-fluorophenyl)methanol
CID 7146499
(S)-(3-chloro-5-fluorophenyl)-(3-chlorophenyl)methanol
CID 7153369
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
CID 61088523
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
CID 65296831
1-(difluoromethyl)-3-iodobenzene
CID 46311736

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(3-iodophenyl)methanol?
The IUPAC name of (3,5-difluorophenyl)-(3-iodophenyl)methanol (CID 115793177) is (3,5-difluorophenyl)-(3-iodophenyl)methanol.
What is the SMILES notation for (3,5-difluorophenyl)-(3-iodophenyl)methanol?
The canonical SMILES for (3,5-difluorophenyl)-(3-iodophenyl)methanol is OC(c1cc(F)cc(F)c1)c1cccc(I)c1.
What is the InChIKey of (3,5-difluorophenyl)-(3-iodophenyl)methanol?
The InChIKey is ZLKUYGKEUJCVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2IO/c14-10-4-9(5-11(15)7-10)13(17)8-2-1-3-12(16)6-8/h1-7,13,17H.
What are the key properties of (3,5-difluorophenyl)-(3-iodophenyl)methanol?
(3,5-difluorophenyl)-(3-iodophenyl)methanol has a molecular weight of 346.11 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(3-iodophenyl)methanol is sourced from PubChem (CID 115793177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).