2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol

C15H14FIO — CID 65479485

IUPAC2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(I)cc1)c1cccc(F)c1
InChIInChI=1S/C15H14FIO/c1-15(18,12-3-2-4-13(16)9-12)10-11-5-7-14(17)8-6-11/h2-9,18H,10H2,1H3
InChIKeyKCQYGECXANLULU-UHFFFAOYSA-N
MW356.18 g/mol
LogP3.88
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol

2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol (PubChem CID 65479485) has the molecular formula C15H14FIO and a molecular weight of 356.18 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
PubChem CID65479485
Molecular FormulaC15H14FIO
Molecular Weight356.18 g/mol
Exact Mass356.01
IUPAC Name2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(I)cc1)c1cccc(F)c1
InChIInChI=1S/C15H14FIO/c1-15(18,12-3-2-4-13(16)9-12)10-11-5-7-14(17)8-6-11/h2-9,18H,10H2,1H3
InChIKeyKCQYGECXANLULU-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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-chlorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 60798764
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
2-(3-fluoro-5-methylphenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114832963
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
2-(3-fluorophenyl)-4-methylheptan-2-ol
CID 65145180
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1,3-difluorobenzene;1-iodo-4-(2-methylbutan-2-yl)benzene
CID 160890095
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol (CID 65479485) is 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol is CC(O)(Cc1ccc(I)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol?
The InChIKey is KCQYGECXANLULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIO/c1-15(18,12-3-2-4-13(16)9-12)10-11-5-7-14(17)8-6-11/h2-9,18H,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol?
2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol has a molecular weight of 356.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-iodophenyl)propan-2-ol is sourced from PubChem (CID 65479485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).