1-(4-iodophenyl)-3-methoxypentan-2-ol

C12H17IO2 — CID 116710944

IUPAC1-(4-iodophenyl)-3-methoxypentan-2-ol
SMILESCCC(OC)C(O)Cc1ccc(I)cc1
InChIInChI=1S/C12H17IO2/c1-3-12(15-2)11(14)8-9-4-6-10(13)7-5-9/h4-7,11-12,14H,3,8H2,1-2H3
InChIKeyZPJXGFJNSFFYKP-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.62
Rot. Bonds5

About 1-(4-iodophenyl)-3-methoxypentan-2-ol

1-(4-iodophenyl)-3-methoxypentan-2-ol (PubChem CID 116710944) has the molecular formula C12H17IO2 and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-(4-iodophenyl)-3-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(4-iodophenyl)-3-methoxypentan-2-ol
PubChem CID116710944
Molecular FormulaC12H17IO2
Molecular Weight320.17 g/mol
Exact Mass320.03
IUPAC Name1-(4-iodophenyl)-3-methoxypentan-2-ol
SMILESCCC(OC)C(O)Cc1ccc(I)cc1
InChIInChI=1S/C12H17IO2/c1-3-12(15-2)11(14)8-9-4-6-10(13)7-5-9/h4-7,11-12,14H,3,8H2,1-2H3
InChIKeyZPJXGFJNSFFYKP-UHFFFAOYSA-N
XLogP2.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-(4-methylphenyl)pentan-2-ol
CID 116710820
3-methoxy-1-pyridin-4-ylpentan-2-ol
CID 116710698
1-(4-iodophenyl)-3-methoxy-N-methylpentan-2-amine
CID 116715433
1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol
CID 116710695
1-(4-iodophenyl)pentan-2-ol
CID 65476847
(3R,6S)-2,3,6-trihydroxy-7-methoxy-1,8-diphenyloctane-4,5-dione
CID 54250401
1-(4-iodophenyl)-2-(4-methoxyphenyl)ethanol
CID 55149346
3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
CID 116710908
1-(4-iodophenyl)-3-phenylbutan-2-ol
CID 65477457
1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
1-(4-iodophenyl)-N,N-dimethoxypropan-2-amine;hydrochloride
CID 90010871
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-3-methoxypentan-2-ol?
The IUPAC name of 1-(4-iodophenyl)-3-methoxypentan-2-ol (CID 116710944) is 1-(4-iodophenyl)-3-methoxypentan-2-ol.
What is the SMILES notation for 1-(4-iodophenyl)-3-methoxypentan-2-ol?
The canonical SMILES for 1-(4-iodophenyl)-3-methoxypentan-2-ol is CCC(OC)C(O)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-3-methoxypentan-2-ol?
The InChIKey is ZPJXGFJNSFFYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO2/c1-3-12(15-2)11(14)8-9-4-6-10(13)7-5-9/h4-7,11-12,14H,3,8H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-3-methoxypentan-2-ol?
1-(4-iodophenyl)-3-methoxypentan-2-ol has a molecular weight of 320.17 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-3-methoxypentan-2-ol is sourced from PubChem (CID 116710944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).