5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol

C13H20IO2- — CID 146926614

IUPAC5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol
SMILESCCc1cc(C(C)C)c(OC)c(O)c1[I-]C
InChIInChI=1S/C13H20IO2/c1-6-9-7-10(8(2)3)13(16-5)12(15)11(9)14-4/h7-8,15H,6H2,1-5H3/q-1
InChIKeyDSEBJZOORHTJIC-UHFFFAOYSA-N
MW335.21 g/mol
LogP-0.03
Rot. Bonds4

About 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol

5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol (PubChem CID 146926614) has the molecular formula C13H20IO2- and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol
PubChem CID146926614
Molecular FormulaC13H20IO2-
Molecular Weight335.21 g/mol
Exact Mass335.05
IUPAC Name5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol
SMILESCCc1cc(C(C)C)c(OC)c(O)c1[I-]C
InChIInChI=1S/C13H20IO2/c1-6-9-7-10(8(2)3)13(16-5)12(15)11(9)14-4/h7-8,15H,6H2,1-5H3/q-1
InChIKeyDSEBJZOORHTJIC-UHFFFAOYSA-N
XLogP-0.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663
2-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)acetonitrile
CID 84785533
3-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)propanal
CID 117340941
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)cyclobutane-1-carboxylic acid
CID 117442709
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
CID 54148027
4-methoxy-3,5-di(propan-2-yl)benzoic acid
CID 15895030
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117442730
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
2-hydroxy-3-methoxy-4-propan-2-ylbenzoic acid
CID 170123205

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol?
The IUPAC name of 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol (CID 146926614) is 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol.
What is the SMILES notation for 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol?
The canonical SMILES for 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol is CCc1cc(C(C)C)c(OC)c(O)c1[I-]C.
What is the InChIKey of 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol?
The InChIKey is DSEBJZOORHTJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IO2/c1-6-9-7-10(8(2)3)13(16-5)12(15)11(9)14-4/h7-8,15H,6H2,1-5H3/q-1.
What are the key properties of 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol?
5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol has a molecular weight of 335.21 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-6-methyliodanuidyl-3-propan-2-ylphenol is sourced from PubChem (CID 146926614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).