1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol

C12H17IO2 — CID 115836120

IUPAC1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1cccc(I)c1
InChIInChI=1S/C12H17IO2/c1-9(6-7-15-2)12(14)10-4-3-5-11(13)8-10/h3-5,8-9,12,14H,6-7H2,1-2H3
InChIKeyRJGNIVWYYRIZPT-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.00
Rot. Bonds5

About 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol

1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol (PubChem CID 115836120) has the molecular formula C12H17IO2 and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol
PubChem CID115836120
Molecular FormulaC12H17IO2
Molecular Weight320.17 g/mol
Exact Mass320.03
IUPAC Name1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol
SMILESCOCCC(C)C(O)c1cccc(I)c1
InChIInChI=1S/C12H17IO2/c1-9(6-7-15-2)12(14)10-4-3-5-11(13)8-10/h3-5,8-9,12,14H,6-7H2,1-2H3
InChIKeyRJGNIVWYYRIZPT-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

1-(3-ethylphenyl)-3-methoxy-2-methylpropan-1-ol
CID 116502579
1-[3-(methoxymethyl)phenyl]-2-methylbutan-1-ol
CID 79446126
1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol
CID 171859200
1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836125
1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene
CID 155032957
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803162
1-(1-bromo-5-methoxy-3-methylpentan-2-yl)-3-methylbenzene
CID 116500337
1-(1-chloro-5-methoxy-3-methylpentan-2-yl)-3-methylbenzene
CID 116500336
2-(3-iodophenyl)-N-methoxypropan-1-imine
CID 174658673
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
1-(3-iodophenyl)-N,2-dimethylbutan-1-amine
CID 105017535

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol (CID 115836120) is 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol is COCCC(C)C(O)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol?
The InChIKey is RJGNIVWYYRIZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO2/c1-9(6-7-15-2)12(14)10-4-3-5-11(13)8-10/h3-5,8-9,12,14H,6-7H2,1-2H3.
What are the key properties of 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol?
1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol has a molecular weight of 320.17 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-4-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 115836120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).