2-iodo-4-methylphenol;4-methylphenol

C14H15IO2 — CID 158335086

IUPAC2-iodo-4-methylphenol;4-methylphenol
SMILESCc1ccc(O)c(I)c1.Cc1ccc(O)cc1
InChIInChI=1S/C7H7IO.C7H8O/c1-5-2-3-7(9)6(8)4-5;1-6-2-4-7(8)5-3-6/h2-4,9H,1H3;2-5,8H,1H3
InChIKeyGQMFBENJTDSBHW-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.01
Rot. Bonds

About 2-iodo-4-methylphenol;4-methylphenol

2-iodo-4-methylphenol;4-methylphenol (PubChem CID 158335086) has the molecular formula C14H15IO2 and a molecular weight of 342.18 g/mol. Its IUPAC name is 2-iodo-4-methylphenol;4-methylphenol.

Molecular Properties

Compound Name2-iodo-4-methylphenol;4-methylphenol
PubChem CID158335086
Molecular FormulaC14H15IO2
Molecular Weight342.18 g/mol
Exact Mass342.01
IUPAC Name2-iodo-4-methylphenol;4-methylphenol
SMILESCc1ccc(O)c(I)c1.Cc1ccc(O)cc1
InChIInChI=1S/C7H7IO.C7H8O/c1-5-2-3-7(9)6(8)4-5;1-6-2-4-7(8)5-3-6/h2-4,9H,1H3;2-5,8H,1H3
InChIKeyGQMFBENJTDSBHW-UHFFFAOYSA-N
XLogP4.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.01
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

hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
4-methylphenol
CID 70549076
2,5-dimethylphenol;4-methylphenol
CID 67649093
bis(4-methylphenol);tetrahydrochloride
CID 175346853
4-methylphenol;hydrate
CID 71777661
4-bromo-2-iodophenol;4-bromophenol
CID 70001852
chromium;bis(4-methylphenol);chloride
CID 172752271
4-methylphenol;2-methylpropane
CID 91606636
ethane;4-(4-methylphenyl)phenol
CID 161379556
boric acid;4-methylphenol
CID 67912006
4-methyl-2-nitrophenol;4-methylphenol
CID 21439085
2,4-dimethylphenol
CID 67713801

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methylphenol;4-methylphenol?
The IUPAC name of 2-iodo-4-methylphenol;4-methylphenol (CID 158335086) is 2-iodo-4-methylphenol;4-methylphenol.
What is the SMILES notation for 2-iodo-4-methylphenol;4-methylphenol?
The canonical SMILES for 2-iodo-4-methylphenol;4-methylphenol is Cc1ccc(O)c(I)c1.Cc1ccc(O)cc1.
What is the InChIKey of 2-iodo-4-methylphenol;4-methylphenol?
The InChIKey is GQMFBENJTDSBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IO.C7H8O/c1-5-2-3-7(9)6(8)4-5;1-6-2-4-7(8)5-3-6/h2-4,9H,1H3;2-5,8H,1H3.
What are the key properties of 2-iodo-4-methylphenol;4-methylphenol?
2-iodo-4-methylphenol;4-methylphenol has a molecular weight of 342.18 g/mol, XLogP of 4.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methylphenol;4-methylphenol is sourced from PubChem (CID 158335086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).