2-(hydroxymethyl)-4-iodo-6-methylphenol

C8H9IO2 — CID 74655415

IUPAC2-(hydroxymethyl)-4-iodo-6-methylphenol
SMILESCc1cc(I)cc(CO)c1O
InChIInChI=1S/C8H9IO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-3,10-11H,4H2,1H3
InChIKeyIMFIHCGQTOCUJL-UHFFFAOYSA-N
MW264.06 g/mol
LogP1.80
Rot. Bonds1

About 2-(hydroxymethyl)-4-iodo-6-methylphenol

2-(hydroxymethyl)-4-iodo-6-methylphenol (PubChem CID 74655415) has the molecular formula C8H9IO2 and a molecular weight of 264.06 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-iodo-6-methylphenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-iodo-6-methylphenol
PubChem CID74655415
Molecular FormulaC8H9IO2
Molecular Weight264.06 g/mol
Exact Mass263.96
IUPAC Name2-(hydroxymethyl)-4-iodo-6-methylphenol
SMILESCc1cc(I)cc(CO)c1O
InChIInChI=1S/C8H9IO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-3,10-11H,4H2,1H3
InChIKeyIMFIHCGQTOCUJL-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.06
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminopropyl)-4-iodo-6-methylphenol
CID 14265625
4-[1-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-1-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]ethyl]-2,6-dimethylphenol;methanol
CID 145345584
3-(dimethylazaniumyl)propyl-[(2-hydroxy-5-iodo-3-methylphenyl)methyl]-methylazanium dichloride
CID 2737336
2-[[3-(dimethylamino)propyl-methylamino]methyl]-4-iodo-6-methylphenol;dihydrochloride
CID 6917833
4-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol
CID 145189895
3,4-bis(hydroxymethyl)-6-methylbenzene-1,2-diol
CID 174735700
2-[[3,5-bis(trifluoromethyl)anilino]methyl]-4-iodo-6-methylphenol
CID 126763633
4-iodo-2-methyl-6-propan-2-ylphenol
CID 158347336
5-(hydroxymethyl)-2,3-dimethylbenzene-1,4-diol
CID 87355604
sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide
CID 160639309
2-[(1S)-1,2-diaminoethyl]-4-iodo-6-methylphenol
CID 131026853
4-iodo-2-methyl-6-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]phenol;dihydrochloride
CID 18965719

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-iodo-6-methylphenol?
The IUPAC name of 2-(hydroxymethyl)-4-iodo-6-methylphenol (CID 74655415) is 2-(hydroxymethyl)-4-iodo-6-methylphenol.
What is the SMILES notation for 2-(hydroxymethyl)-4-iodo-6-methylphenol?
The canonical SMILES for 2-(hydroxymethyl)-4-iodo-6-methylphenol is Cc1cc(I)cc(CO)c1O.
What is the InChIKey of 2-(hydroxymethyl)-4-iodo-6-methylphenol?
The InChIKey is IMFIHCGQTOCUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2/c1-5-2-7(9)3-6(4-10)8(5)11/h2-3,10-11H,4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-iodo-6-methylphenol?
2-(hydroxymethyl)-4-iodo-6-methylphenol has a molecular weight of 264.06 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-iodo-6-methylphenol is sourced from PubChem (CID 74655415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).