2-(iodomethyl)-4-prop-1-en-2-ylphenol

C10H11IO — CID 54302731

IUPAC2-(iodomethyl)-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(O)c(CI)c1
InChIInChI=1S/C10H11IO/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,12H,1,6H2,2H3
InChIKeySFJKCOWGKUHRAU-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.36
Rot. Bonds2

About 2-(iodomethyl)-4-prop-1-en-2-ylphenol

2-(iodomethyl)-4-prop-1-en-2-ylphenol (PubChem CID 54302731) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-(iodomethyl)-4-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name2-(iodomethyl)-4-prop-1-en-2-ylphenol
PubChem CID54302731
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name2-(iodomethyl)-4-prop-1-en-2-ylphenol
SMILESC=C(C)c1ccc(O)c(CI)c1
InChIInChI=1S/C10H11IO/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,12H,1,6H2,2H3
InChIKeySFJKCOWGKUHRAU-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-4-prop-1-en-2-ylphenol?
The IUPAC name of 2-(iodomethyl)-4-prop-1-en-2-ylphenol (CID 54302731) is 2-(iodomethyl)-4-prop-1-en-2-ylphenol.
What is the SMILES notation for 2-(iodomethyl)-4-prop-1-en-2-ylphenol?
The canonical SMILES for 2-(iodomethyl)-4-prop-1-en-2-ylphenol is C=C(C)c1ccc(O)c(CI)c1.
What is the InChIKey of 2-(iodomethyl)-4-prop-1-en-2-ylphenol?
The InChIKey is SFJKCOWGKUHRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IO/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,12H,1,6H2,2H3.
What are the key properties of 2-(iodomethyl)-4-prop-1-en-2-ylphenol?
2-(iodomethyl)-4-prop-1-en-2-ylphenol has a molecular weight of 274.10 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-4-prop-1-en-2-ylphenol is sourced from PubChem (CID 54302731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).