3-iodo-5-phenylpentan-1-ol

C11H15IO — CID 72737270

IUPAC3-iodo-5-phenylpentan-1-ol
SMILESOCCC(I)CCc1ccccc1
InChIInChI=1S/C11H15IO/c12-11(8-9-13)7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyOLHNHJPFUCJYKD-UHFFFAOYSA-N
MW290.14 g/mol
LogP2.81
Rot. Bonds5

About 3-iodo-5-phenylpentan-1-ol

3-iodo-5-phenylpentan-1-ol (PubChem CID 72737270) has the molecular formula C11H15IO and a molecular weight of 290.14 g/mol. Its IUPAC name is 3-iodo-5-phenylpentan-1-ol.

Molecular Properties

Compound Name3-iodo-5-phenylpentan-1-ol
PubChem CID72737270
Molecular FormulaC11H15IO
Molecular Weight290.14 g/mol
Exact Mass290.02
IUPAC Name3-iodo-5-phenylpentan-1-ol
SMILESOCCC(I)CCc1ccccc1
InChIInChI=1S/C11H15IO/c12-11(8-9-13)7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKeyOLHNHJPFUCJYKD-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-1,7-diphenylheptan-4-one
CID 56634500
(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
CID 129452595
3-(2-hydroxyethyl)-5-phenylpentan-2-one
CID 103344035
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
2-amino-4-phenylbutan-1-ol
CID 159249603
3-ethenyl-6-phenylhexane-1,4-diol
CID 10513125
[(3S)-3-bromo-3-fluoropropyl]benzene
CID 129394816
(2S)-4-phenylbutan-2-amine
CID 6994564
3,6-diphenylhexan-1-ol
CID 54360227
2-aminopropan-1-ol;2-phenylethanol
CID 174837900

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-phenylpentan-1-ol?
The IUPAC name of 3-iodo-5-phenylpentan-1-ol (CID 72737270) is 3-iodo-5-phenylpentan-1-ol.
What is the SMILES notation for 3-iodo-5-phenylpentan-1-ol?
The canonical SMILES for 3-iodo-5-phenylpentan-1-ol is OCCC(I)CCc1ccccc1.
What is the InChIKey of 3-iodo-5-phenylpentan-1-ol?
The InChIKey is OLHNHJPFUCJYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO/c12-11(8-9-13)7-6-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2.
What are the key properties of 3-iodo-5-phenylpentan-1-ol?
3-iodo-5-phenylpentan-1-ol has a molecular weight of 290.14 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-phenylpentan-1-ol is sourced from PubChem (CID 72737270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).