4-(iodomethyl)phenol

C7H7IO — CID 11241787

IUPAC4-(iodomethyl)phenol
SMILESOc1ccc(CI)cc1
InChIInChI=1S/C7H7IO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5H2
InChIKeyRMIYQPDJHYAGGW-UHFFFAOYSA-N
MW234.04 g/mol
LogP2.33
Rot. Bonds1

About 4-(iodomethyl)phenol

4-(iodomethyl)phenol (PubChem CID 11241787) has the molecular formula C7H7IO and a molecular weight of 234.04 g/mol. Its IUPAC name is 4-(iodomethyl)phenol.

Molecular Properties

Compound Name4-(iodomethyl)phenol
PubChem CID11241787
Molecular FormulaC7H7IO
Molecular Weight234.04 g/mol
Exact Mass233.95
IUPAC Name4-(iodomethyl)phenol
SMILESOc1ccc(CI)cc1
InChIInChI=1S/C7H7IO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5H2
InChIKeyRMIYQPDJHYAGGW-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 52.33
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

4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-(6-iodohexyl)phenol
CID 23455799
4-(hydroxymethyl)phenol;hydrate
CID 141133894
4-(phosphanylmethyl)phenol
CID 58879736
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
potassium (4-hydroxyphenyl)methanolate
CID 143043545
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
(4-hydroxyphenyl)methylazanium bromide
CID 46835682
benzene-1,4-diol;hydron
CID 137356428
CID 158795306
CID 158795306
argon;benzene-1,4-diol
CID 71441175

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)phenol?
The IUPAC name of 4-(iodomethyl)phenol (CID 11241787) is 4-(iodomethyl)phenol.
What is the SMILES notation for 4-(iodomethyl)phenol?
The canonical SMILES for 4-(iodomethyl)phenol is Oc1ccc(CI)cc1.
What is the InChIKey of 4-(iodomethyl)phenol?
The InChIKey is RMIYQPDJHYAGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H,5H2.
What are the key properties of 4-(iodomethyl)phenol?
4-(iodomethyl)phenol has a molecular weight of 234.04 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)phenol is sourced from PubChem (CID 11241787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).