4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol

C11H15IO2 — CID 67909591

IUPAC4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol
SMILESCc1cc(CCC(O)I)cc(C)c1O
InChIInChI=1S/C11H15IO2/c1-7-5-9(3-4-10(12)13)6-8(2)11(7)14/h5-6,10,13-14H,3-4H2,1-2H3
InChIKeySOUROCDHUOUKEQ-UHFFFAOYSA-N
MW306.14 g/mol
LogP2.70
Rot. Bonds3

About 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol

4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol (PubChem CID 67909591) has the molecular formula C11H15IO2 and a molecular weight of 306.14 g/mol. Its IUPAC name is 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol
PubChem CID67909591
Molecular FormulaC11H15IO2
Molecular Weight306.14 g/mol
Exact Mass306.01
IUPAC Name4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol
SMILESCc1cc(CCC(O)I)cc(C)c1O
InChIInChI=1S/C11H15IO2/c1-7-5-9(3-4-10(12)13)6-8(2)11(7)14/h5-6,10,13-14H,3-4H2,1-2H3
InChIKeySOUROCDHUOUKEQ-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 52.70
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol?
The IUPAC name of 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol (CID 67909591) is 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol is Cc1cc(CCC(O)I)cc(C)c1O.
What is the InChIKey of 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol?
The InChIKey is SOUROCDHUOUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2/c1-7-5-9(3-4-10(12)13)6-8(2)11(7)14/h5-6,10,13-14H,3-4H2,1-2H3.
What are the key properties of 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol?
4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol has a molecular weight of 306.14 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol is sourced from PubChem (CID 67909591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).