(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol

C13H9ClFIO — CID 115827844

IUPAC(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFIO/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H
InChIKeyNRPWUEYJSAWMAO-UHFFFAOYSA-N
MW362.57 g/mol
LogP4.17
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol

(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol (PubChem CID 115827844) has the molecular formula C13H9ClFIO and a molecular weight of 362.57 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
PubChem CID115827844
Molecular FormulaC13H9ClFIO
Molecular Weight362.57 g/mol
Exact Mass361.94
IUPAC Name(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
SMILESOC(c1ccc(I)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFIO/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H
InChIKeyNRPWUEYJSAWMAO-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 54.17
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-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
(4-chloro-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63081233
(3-chlorophenyl)-(4-iodophenyl)methanol
CID 114982492
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
CID 63082099
[4-chloro-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
CID 141261609
(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
CID 115794222
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747556
(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
CID 113319557

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol (CID 115827844) is (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol is OC(c1ccc(I)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol?
The InChIKey is NRPWUEYJSAWMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFIO/c14-9-3-6-11(12(15)7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol?
(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol has a molecular weight of 362.57 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol is sourced from PubChem (CID 115827844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).