2-(3-iodopropyl)phenol

C9H11IO — CID 72722847

IUPAC2-(3-iodopropyl)phenol
SMILESOc1ccccc1CCCI
InChIInChI=1S/C9H11IO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,11H,3,5,7H2
InChIKeyQKUOOTZYWPQPQF-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.76
Rot. Bonds3

About 2-(3-iodopropyl)phenol

2-(3-iodopropyl)phenol (PubChem CID 72722847) has the molecular formula C9H11IO and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-(3-iodopropyl)phenol.

Molecular Properties

Compound Name2-(3-iodopropyl)phenol
PubChem CID72722847
Molecular FormulaC9H11IO
Molecular Weight262.09 g/mol
Exact Mass261.99
IUPAC Name2-(3-iodopropyl)phenol
SMILESOc1ccccc1CCCI
InChIInChI=1S/C9H11IO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,11H,3,5,7H2
InChIKeyQKUOOTZYWPQPQF-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 175749710
CID 175749710
2-dodecylphenol
CID 160834917
2-(12-phenyldodecyl)phenol
CID 70505621
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
CID 158595082
CID 158595082
2-(3-benzylsulfanylpropyl)phenol
CID 15322693
ethene;2-nonylphenol
CID 66616289
5-[3-(2-hydroxyphenyl)propyl]benzene-1,3-diol
CID 139309701
disodium;hydride;2-nonylphenol
CID 175531956
lithium;2-dodecylphenol;hydride
CID 174657819
2-decylphenol;hydrazine
CID 159983030

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodopropyl)phenol?
The IUPAC name of 2-(3-iodopropyl)phenol (CID 72722847) is 2-(3-iodopropyl)phenol.
What is the SMILES notation for 2-(3-iodopropyl)phenol?
The canonical SMILES for 2-(3-iodopropyl)phenol is Oc1ccccc1CCCI.
What is the InChIKey of 2-(3-iodopropyl)phenol?
The InChIKey is QKUOOTZYWPQPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,11H,3,5,7H2.
What are the key properties of 2-(3-iodopropyl)phenol?
2-(3-iodopropyl)phenol has a molecular weight of 262.09 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodopropyl)phenol is sourced from PubChem (CID 72722847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).