1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol

C11H15IO2 — CID 131862050

IUPAC1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)cc1C(C)(O)CI
InChIInChI=1S/C11H15IO2/c1-8-4-5-10(14-3)9(6-8)11(2,13)7-12/h4-6,13H,7H2,1-3H3
InChIKeyRYTGAOYVXOPRAK-UHFFFAOYSA-N
MW306.14 g/mol
LogP2.65
Rot. Bonds3

About 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol

1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol (PubChem CID 131862050) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
PubChem CID131862050
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
SMILESCOc1ccc(C)cc1C(C)(O)CI
InChIInChI=1S/C11H15IO2/c1-8-4-5-10(14-3)9(6-8)11(2,13)7-12/h4-6,13H,7H2,1-3H3
InChIKeyRYTGAOYVXOPRAK-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-5-methylphenyl)-6-methylheptane-2,6-diol
CID 165345524
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
2-fluoro-3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoic acid
CID 79366441
1-(2-methoxy-5-methylphenyl)-1-(3-methoxyphenyl)ethanol
CID 62795740
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine
CID 79016908
chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 89214237

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol?
The IUPAC name of 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol (CID 131862050) is 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol?
The canonical SMILES for 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol is COc1ccc(C)cc1C(C)(O)CI.
What is the InChIKey of 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol?
The InChIKey is RYTGAOYVXOPRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-8-4-5-10(14-3)9(6-8)11(2,13)7-12/h4-6,13H,7H2,1-3H3.
What are the key properties of 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol?
1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol has a molecular weight of 306.14 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol is sourced from PubChem (CID 131862050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).