2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol

C15H14FIO — CID 105377699

IUPAC2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccccc1I
InChIInChI=1S/C15H14FIO/c1-10-6-7-12(16)8-11(10)9-15(18)13-4-2-3-5-14(13)17/h2-8,15,18H,9H2,1H3
InChIKeyQJAYFXYLMOBXJV-UHFFFAOYSA-N
MW356.18 g/mol
LogP4.01
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol

2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol (PubChem CID 105377699) has the molecular formula C15H14FIO and a molecular weight of 356.18 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
PubChem CID105377699
Molecular FormulaC15H14FIO
Molecular Weight356.18 g/mol
Exact Mass356.01
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)c1ccccc1I
InChIInChI=1S/C15H14FIO/c1-10-6-7-12(16)8-11(10)9-15(18)13-4-2-3-5-14(13)17/h2-8,15,18H,9H2,1H3
InChIKeyQJAYFXYLMOBXJV-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

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanamine
CID 105377069
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372816
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688
1-(2-bromo-4-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377660
2-(4-fluoro-2-methylphenyl)-1-(2-methoxyphenyl)ethanol
CID 114346762
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
2-(5-fluoro-2-methylphenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 105372798
1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
CID 114033074
1,2-bis(2-methylphenyl)ethanol
CID 60798292

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol (CID 105377699) is 2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol is Cc1ccc(F)cc1CC(O)c1ccccc1I.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol?
The InChIKey is QJAYFXYLMOBXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIO/c1-10-6-7-12(16)8-11(10)9-15(18)13-4-2-3-5-14(13)17/h2-8,15,18H,9H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol?
2-(5-fluoro-2-methylphenyl)-1-(2-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-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol is sourced from PubChem (CID 105377699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).