(3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone

C13H8FIO2 — CID 11325317

IUPAC(3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1ccc(O)c(I)c1
InChIInChI=1S/C13H8FIO2/c14-10-3-1-2-8(6-10)13(17)9-4-5-12(16)11(15)7-9/h1-7,16H
InChIKeyXLCJVJMBYJCEQK-UHFFFAOYSA-N
MW342.11 g/mol
LogP3.37
Rot. Bonds2

About (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone

(3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone (PubChem CID 11325317) has the molecular formula C13H8FIO2 and a molecular weight of 342.11 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone
PubChem CID11325317
Molecular FormulaC13H8FIO2
Molecular Weight342.11 g/mol
Exact Mass341.96
IUPAC Name(3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone
SMILESO=C(c1cccc(F)c1)c1ccc(O)c(I)c1
InChIInChI=1S/C13H8FIO2/c14-10-3-1-2-8(6-10)13(17)9-4-5-12(16)11(15)7-9/h1-7,16H
InChIKeyXLCJVJMBYJCEQK-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.11
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone
CID 11279298
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(4-fluorophenyl)-(3-iodophenyl)methanone
CID 24722824
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
2-[4-(3-fluorobenzoyl)phenyl]acetic acid
CID 82120891
(3-fluorophenyl)-(4-nitrophenyl)methanone
CID 24722816
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
3-fluorobenzoyl bromide
CID 20822510
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone?
The IUPAC name of (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone (CID 11325317) is (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone?
The canonical SMILES for (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone is O=C(c1cccc(F)c1)c1ccc(O)c(I)c1.
What is the InChIKey of (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone?
The InChIKey is XLCJVJMBYJCEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIO2/c14-10-3-1-2-8(6-10)13(17)9-4-5-12(16)11(15)7-9/h1-7,16H.
What are the key properties of (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone?
(3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone has a molecular weight of 342.11 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-hydroxy-3-iodophenyl)methanone is sourced from PubChem (CID 11325317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).