2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol

C15H14FIO — CID 115838318

IUPAC2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1ccc(I)cc1
InChIInChI=1S/C15H14FIO/c1-10-8-13(16)5-2-12(10)9-15(18)11-3-6-14(17)7-4-11/h2-8,15,18H,9H2,1H3
InChIKeyHIXNQQKCDRAXPM-UHFFFAOYSA-N
MW356.18 g/mol
LogP4.01
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol

2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol (PubChem CID 115838318) has the molecular formula C15H14FIO and a molecular weight of 356.18 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
PubChem CID115838318
Molecular FormulaC15H14FIO
Molecular Weight356.18 g/mol
Exact Mass356.01
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol
SMILESCc1cc(F)ccc1CC(O)c1ccc(I)cc1
InChIInChI=1S/C15H14FIO/c1-10-8-13(16)5-2-12(10)9-15(18)11-3-6-14(17)7-4-11/h2-8,15,18H,9H2,1H3
InChIKeyHIXNQQKCDRAXPM-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 54.01
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

1-(4-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346759
1-(3-bromo-4-fluorophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346820
(4-fluoro-2-methylphenyl)-(4-iodophenyl)methanol
CID 115794222
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
2-(3,4-dimethylphenyl)-1-(4-iodophenyl)ethanol
CID 63519463
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372779
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-(3-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346766

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol (CID 115838318) is 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol is Cc1cc(F)ccc1CC(O)c1ccc(I)cc1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol?
The InChIKey is HIXNQQKCDRAXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIO/c1-10-8-13(16)5-2-12(10)9-15(18)11-3-6-14(17)7-4-11/h2-8,15,18H,9H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol?
2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol has a molecular weight of 356.18 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(4-iodophenyl)ethanol is sourced from PubChem (CID 115838318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).