4-(3-iodo-4-methylphenyl)butan-1-ol

C11H15IO — CID 118689194

IUPAC4-(3-iodo-4-methylphenyl)butan-1-ol
SMILESCc1ccc(CCCCO)cc1I
InChIInChI=1S/C11H15IO/c1-9-5-6-10(8-11(9)12)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3
InChIKeyHGCUQJSAUXCNOA-UHFFFAOYSA-N
MW290.14 g/mol
LogP2.91
Rot. Bonds4

About 4-(3-iodo-4-methylphenyl)butan-1-ol

4-(3-iodo-4-methylphenyl)butan-1-ol (PubChem CID 118689194) has the molecular formula C11H15IO and a molecular weight of 290.14 g/mol. Its IUPAC name is 4-(3-iodo-4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(3-iodo-4-methylphenyl)butan-1-ol
PubChem CID118689194
Molecular FormulaC11H15IO
Molecular Weight290.14 g/mol
Exact Mass290.02
IUPAC Name4-(3-iodo-4-methylphenyl)butan-1-ol
SMILESCc1ccc(CCCCO)cc1I
InChIInChI=1S/C11H15IO/c1-9-5-6-10(8-11(9)12)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3
InChIKeyHGCUQJSAUXCNOA-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-iodo-4-methylphenyl)butan-1-ol?
The IUPAC name of 4-(3-iodo-4-methylphenyl)butan-1-ol (CID 118689194) is 4-(3-iodo-4-methylphenyl)butan-1-ol.
What is the SMILES notation for 4-(3-iodo-4-methylphenyl)butan-1-ol?
The canonical SMILES for 4-(3-iodo-4-methylphenyl)butan-1-ol is Cc1ccc(CCCCO)cc1I.
What is the InChIKey of 4-(3-iodo-4-methylphenyl)butan-1-ol?
The InChIKey is HGCUQJSAUXCNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO/c1-9-5-6-10(8-11(9)12)4-2-3-7-13/h5-6,8,13H,2-4,7H2,1H3.
What are the key properties of 4-(3-iodo-4-methylphenyl)butan-1-ol?
4-(3-iodo-4-methylphenyl)butan-1-ol has a molecular weight of 290.14 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodo-4-methylphenyl)butan-1-ol is sourced from PubChem (CID 118689194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).