2-iodo-5-methyl-3-propylphenol

C10H13IO — CID 121322830

IUPAC2-iodo-5-methyl-3-propylphenol
SMILESCCCc1cc(C)cc(O)c1I
InChIInChI=1S/C10H13IO/c1-3-4-8-5-7(2)6-9(12)10(8)11/h5-6,12H,3-4H2,1-2H3
InChIKeyAAYPOVCEOGRDJJ-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.26
Rot. Bonds2

About 2-iodo-5-methyl-3-propylphenol

2-iodo-5-methyl-3-propylphenol (PubChem CID 121322830) has the molecular formula C10H13IO and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-iodo-5-methyl-3-propylphenol.

Molecular Properties

Compound Name2-iodo-5-methyl-3-propylphenol
PubChem CID121322830
Molecular FormulaC10H13IO
Molecular Weight276.12 g/mol
Exact Mass276.00
IUPAC Name2-iodo-5-methyl-3-propylphenol
SMILESCCCc1cc(C)cc(O)c1I
InChIInChI=1S/C10H13IO/c1-3-4-8-5-7(2)6-9(12)10(8)11/h5-6,12H,3-4H2,1-2H3
InChIKeyAAYPOVCEOGRDJJ-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methyl-3-propylphenol?
The IUPAC name of 2-iodo-5-methyl-3-propylphenol (CID 121322830) is 2-iodo-5-methyl-3-propylphenol.
What is the SMILES notation for 2-iodo-5-methyl-3-propylphenol?
The canonical SMILES for 2-iodo-5-methyl-3-propylphenol is CCCc1cc(C)cc(O)c1I.
What is the InChIKey of 2-iodo-5-methyl-3-propylphenol?
The InChIKey is AAYPOVCEOGRDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO/c1-3-4-8-5-7(2)6-9(12)10(8)11/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 2-iodo-5-methyl-3-propylphenol?
2-iodo-5-methyl-3-propylphenol has a molecular weight of 276.12 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methyl-3-propylphenol is sourced from PubChem (CID 121322830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).