(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol

C14H12FIO — CID 115794222

IUPAC(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1ccc(I)cc1
InChIInChI=1S/C14H12FIO/c1-9-8-11(15)4-7-13(9)14(17)10-2-5-12(16)6-3-10/h2-8,14,17H,1H3
InChIKeyXKODKSOBLCWIND-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.82
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol

(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol (PubChem CID 115794222) has the molecular formula C14H12FIO and a molecular weight of 342.15 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
PubChem CID115794222
Molecular FormulaC14H12FIO
Molecular Weight342.15 g/mol
Exact Mass341.99
IUPAC Name(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
SMILESCc1cc(F)ccc1C(O)c1ccc(I)cc1
InChIInChI=1S/C14H12FIO/c1-9-8-11(15)4-7-13(9)14(17)10-2-5-12(16)6-3-10/h2-8,14,17H,1H3
InChIKeyXKODKSOBLCWIND-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.82
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-fluoro-2-methylphenyl)-(4-methylphenyl)methanol
CID 62791480
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
CID 115838318
(4-fluoro-2-methylphenyl)-(3-methylphenyl)methanol
CID 62791652
(4,5-dimethoxy-2-methylphenyl)-(4-iodophenyl)methanol
CID 61080761
(4-fluoro-2-methylphenyl)-pyridazin-4-ylmethanol
CID 105093809
(4-fluoro-2-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756177
(4-fluoro-2-methylphenyl)-(1H-indol-5-yl)methanol
CID 81445082
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
CID 115827844
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol?
The IUPAC name of (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol (CID 115794222) is (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol is Cc1cc(F)ccc1C(O)c1ccc(I)cc1.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol?
The InChIKey is XKODKSOBLCWIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIO/c1-9-8-11(15)4-7-13(9)14(17)10-2-5-12(16)6-3-10/h2-8,14,17H,1H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol?
(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol has a molecular weight of 342.15 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol is sourced from PubChem (CID 115794222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).