3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol

C12H17IO2 — CID 81217476

IUPAC3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COCc1ccc(I)cc1
InChIInChI=1S/C12H17IO2/c1-12(2,8-14)9-15-7-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyCIHONKVCDAOCKY-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.83
Rot. Bonds5

About 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol

3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol (PubChem CID 81217476) has the molecular formula C12H17IO2 and a molecular weight of 320.17 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol
PubChem CID81217476
Molecular FormulaC12H17IO2
Molecular Weight320.17 g/mol
Exact Mass320.03
IUPAC Name3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COCc1ccc(I)cc1
InChIInChI=1S/C12H17IO2/c1-12(2,8-14)9-15-7-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyCIHONKVCDAOCKY-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154
2,2-difluoro-3-[(4-iodophenyl)methoxy]propanoic acid
CID 170235329
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
2-[2-[2-[2-[(4-iodophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23598251
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
1-chloro-4-[(4-iodophenyl)methoxymethyl]benzene
CID 65490741
1-[(3-bromo-2,2-dimethylpropoxy)methyl]-4-chlorobenzene
CID 65124513
2-(hydroxymethyl)-2-[(4-methoxyphenyl)methoxymethyl]propane-1,3-diol
CID 15417178
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol (CID 81217476) is 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol is CC(C)(CO)COCc1ccc(I)cc1.
What is the InChIKey of 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol?
The InChIKey is CIHONKVCDAOCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO2/c1-12(2,8-14)9-15-7-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol?
3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol has a molecular weight of 320.17 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methoxy]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81217476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).