1-(2-iodophenyl)-3-phenylpropan-1-ol

C15H15IO — CID 14918705

IUPAC1-(2-iodophenyl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1ccccc1I
InChIInChI=1S/C15H15IO/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,15,17H,10-11H2
InChIKeyQNIZXPDPFADCIG-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.96
Rot. Bonds4

About 1-(2-iodophenyl)-3-phenylpropan-1-ol

1-(2-iodophenyl)-3-phenylpropan-1-ol (PubChem CID 14918705) has the molecular formula C15H15IO and a molecular weight of 338.19 g/mol. Its IUPAC name is 1-(2-iodophenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-iodophenyl)-3-phenylpropan-1-ol
PubChem CID14918705
Molecular FormulaC15H15IO
Molecular Weight338.19 g/mol
Exact Mass338.02
IUPAC Name1-(2-iodophenyl)-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1ccccc1I
InChIInChI=1S/C15H15IO/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,15,17H,10-11H2
InChIKeyQNIZXPDPFADCIG-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.96
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-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
CID 107538484
1-(2-cyclobutylphenyl)-3-phenylpropan-1-ol
CID 114601312
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
2-(4-bromophenyl)-1-(2-iodophenyl)ethanol
CID 63016179
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(2-iodophenyl)-3-phenylpropan-1-ol (CID 14918705) is 1-(2-iodophenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-iodophenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(2-iodophenyl)-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-3-phenylpropan-1-ol?
The InChIKey is QNIZXPDPFADCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IO/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,15,17H,10-11H2.
What are the key properties of 1-(2-iodophenyl)-3-phenylpropan-1-ol?
1-(2-iodophenyl)-3-phenylpropan-1-ol has a molecular weight of 338.19 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 14918705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).