5-(2-iodophenyl)pentan-1-ol

C11H15IO — CID 54534561

IUPAC5-(2-iodophenyl)pentan-1-ol
SMILESOCCCCCc1ccccc1I
InChIInChI=1S/C11H15IO/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h3-4,7-8,13H,1-2,5-6,9H2
InChIKeyYNZMESAPLBJAJD-UHFFFAOYSA-N
MW290.14 g/mol
LogP3.00
Rot. Bonds5

About 5-(2-iodophenyl)pentan-1-ol

5-(2-iodophenyl)pentan-1-ol (PubChem CID 54534561) has the molecular formula C11H15IO and a molecular weight of 290.14 g/mol. Its IUPAC name is 5-(2-iodophenyl)pentan-1-ol.

Molecular Properties

Compound Name5-(2-iodophenyl)pentan-1-ol
PubChem CID54534561
Molecular FormulaC11H15IO
Molecular Weight290.14 g/mol
Exact Mass290.02
IUPAC Name5-(2-iodophenyl)pentan-1-ol
SMILESOCCCCCc1ccccc1I
InChIInChI=1S/C11H15IO/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h3-4,7-8,13H,1-2,5-6,9H2
InChIKeyYNZMESAPLBJAJD-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bromomethane;1-(3-bromopropyl)-2-iodobenzene
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3-[2-(5-hydroxypentyl)phenyl]propanoic acid
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9-[2-[2-(9-hydroxynonyl)phenyl]sulfonylphenyl]nonan-1-ol;manganese
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6-(2-iodophenyl)hexan-3-one
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4-(2-propan-2-ylphenyl)butan-1-ol
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3-(2-bromophenyl)propan-1-ol;3-(2-iodophenyl)propan-1-ol;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 159396861
2-(2-iodophenyl)ethanamine;hydrochloride
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1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224
4-(2,3-diaminophenyl)butan-1-ol
CID 67906249
1-iodo-2-[(2-iodophenyl)methyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 5-(2-iodophenyl)pentan-1-ol?
The IUPAC name of 5-(2-iodophenyl)pentan-1-ol (CID 54534561) is 5-(2-iodophenyl)pentan-1-ol.
What is the SMILES notation for 5-(2-iodophenyl)pentan-1-ol?
The canonical SMILES for 5-(2-iodophenyl)pentan-1-ol is OCCCCCc1ccccc1I.
What is the InChIKey of 5-(2-iodophenyl)pentan-1-ol?
The InChIKey is YNZMESAPLBJAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h3-4,7-8,13H,1-2,5-6,9H2.
What are the key properties of 5-(2-iodophenyl)pentan-1-ol?
5-(2-iodophenyl)pentan-1-ol has a molecular weight of 290.14 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodophenyl)pentan-1-ol is sourced from PubChem (CID 54534561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).