(4-fluorophenyl)-(3-iodophenyl)methanol

C13H10FIO — CID 61099687

IUPAC(4-fluorophenyl)-(3-iodophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cccc(I)c1
InChIInChI=1S/C13H10FIO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13,16H
InChIKeyTYECCUCJPUUGHC-UHFFFAOYSA-N
MW328.12 g/mol
LogP3.51
Rot. Bonds2

About (4-fluorophenyl)-(3-iodophenyl)methanol

(4-fluorophenyl)-(3-iodophenyl)methanol (PubChem CID 61099687) has the molecular formula C13H10FIO and a molecular weight of 328.12 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-iodophenyl)methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-iodophenyl)methanol
PubChem CID61099687
Molecular FormulaC13H10FIO
Molecular Weight328.12 g/mol
Exact Mass327.98
IUPAC Name(4-fluorophenyl)-(3-iodophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cccc(I)c1
InChIInChI=1S/C13H10FIO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13,16H
InChIKeyTYECCUCJPUUGHC-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-iodophenyl)methanol?
The IUPAC name of (4-fluorophenyl)-(3-iodophenyl)methanol (CID 61099687) is (4-fluorophenyl)-(3-iodophenyl)methanol.
What is the SMILES notation for (4-fluorophenyl)-(3-iodophenyl)methanol?
The canonical SMILES for (4-fluorophenyl)-(3-iodophenyl)methanol is OC(c1ccc(F)cc1)c1cccc(I)c1.
What is the InChIKey of (4-fluorophenyl)-(3-iodophenyl)methanol?
The InChIKey is TYECCUCJPUUGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13,16H.
What are the key properties of (4-fluorophenyl)-(3-iodophenyl)methanol?
(4-fluorophenyl)-(3-iodophenyl)methanol has a molecular weight of 328.12 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-iodophenyl)methanol is sourced from PubChem (CID 61099687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).