2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol

C15H14FIO2 — CID 115782342

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccccc2I)cc1F
InChIInChI=1S/C15H14FIO2/c1-19-15-7-6-10(8-12(15)16)9-14(18)11-4-2-3-5-13(11)17/h2-8,14,18H,9H2,1H3
InChIKeyCVKBBXRHVNAIQI-UHFFFAOYSA-N
MW372.18 g/mol
LogP3.71
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol

2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol (PubChem CID 115782342) has the molecular formula C15H14FIO2 and a molecular weight of 372.18 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
PubChem CID115782342
Molecular FormulaC15H14FIO2
Molecular Weight372.18 g/mol
Exact Mass372.00
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccccc2I)cc1F
InChIInChI=1S/C15H14FIO2/c1-19-15-7-6-10(8-12(15)16)9-14(18)11-4-2-3-5-13(11)17/h2-8,14,18H,9H2,1H3
InChIKeyCVKBBXRHVNAIQI-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.18
LogP ≤ 53.71
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-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105084537
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
3-(3-fluoro-4-methoxyphenyl)-2-phenylpropan-1-ol
CID 66059844
1-(3-ethyl-6-methylpyridazin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084519
1-(dimethylamino)-3-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 79086997
2-(3-bromo-4-methoxyphenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115779483
1-(5-chloro-2-methoxyphenyl)-2-(4-iodophenyl)ethanol
CID 115802739
2-(5-fluoro-2-methylphenyl)-1-(2-iodophenyl)ethanol
CID 105377699

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol (CID 115782342) is 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol is COc1ccc(CC(O)c2ccccc2I)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol?
The InChIKey is CVKBBXRHVNAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIO2/c1-19-15-7-6-10(8-12(15)16)9-14(18)11-4-2-3-5-13(11)17/h2-8,14,18H,9H2,1H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol?
2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol has a molecular weight of 372.18 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(2-iodophenyl)ethanol is sourced from PubChem (CID 115782342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).