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

C9H11IO — CID 118041609

IUPAC2-(4-iodophenyl)propan-1-ol
SMILESCC(CO)c1ccc(I)cc1
InChIInChI=1S/C9H11IO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChIKeyXUYCXLVYQKODLD-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.39
Rot. Bonds2

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

2-(4-iodophenyl)propan-1-ol (PubChem CID 118041609) has the molecular formula C9H11IO and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-(4-iodophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-iodophenyl)propan-1-ol
PubChem CID118041609
Molecular FormulaC9H11IO
Molecular Weight262.09 g/mol
Exact Mass261.99
IUPAC Name2-(4-iodophenyl)propan-1-ol
SMILESCC(CO)c1ccc(I)cc1
InChIInChI=1S/C9H11IO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3
InChIKeyXUYCXLVYQKODLD-UHFFFAOYSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.39
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

(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
(1R)-1-(4-iodophenyl)ethanamine
CID 15930770
3-(4-iodophenyl)butanal
CID 101197273
4-(1-hydroxypropan-2-yl)benzaldehyde
CID 130131368
2-[4-(2-fluoropropan-2-yl)phenyl]propan-1-ol
CID 117286451
3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol
CID 66175909
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
ethyl 4-(4-iodophenyl)-2-methylpentanoate
CID 59863319
1-iodo-4-(4-pentan-2-ylphenyl)iodanuidylbenzene
CID 176659837

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)propan-1-ol?
The IUPAC name of 2-(4-iodophenyl)propan-1-ol (CID 118041609) is 2-(4-iodophenyl)propan-1-ol.
What is the SMILES notation for 2-(4-iodophenyl)propan-1-ol?
The canonical SMILES for 2-(4-iodophenyl)propan-1-ol is CC(CO)c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)propan-1-ol?
The InChIKey is XUYCXLVYQKODLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3.
What are the key properties of 2-(4-iodophenyl)propan-1-ol?
2-(4-iodophenyl)propan-1-ol has a molecular weight of 262.09 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)propan-1-ol is sourced from PubChem (CID 118041609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).