2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate

C16H20N2O3 — CID 23570058

IUPAC2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate
SMILESCC(C)(O)c1ccc(C(C)(C)OC(=O)n2ccnc2)cc1
InChIInChI=1S/C16H20N2O3/c1-15(2,20)12-5-7-13(8-6-12)16(3,4)21-14(19)18-10-9-17-11-18/h5-11,20H,1-4H3
InChIKeyYMLCLIHGOHNZEH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.03
Rot. Bonds3

About 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate

2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate (PubChem CID 23570058) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate
PubChem CID23570058
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate
SMILESCC(C)(O)c1ccc(C(C)(C)OC(=O)n2ccnc2)cc1
InChIInChI=1S/C16H20N2O3/c1-15(2,20)12-5-7-13(8-6-12)16(3,4)21-14(19)18-10-9-17-11-18/h5-11,20H,1-4H3
InChIKeyYMLCLIHGOHNZEH-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate (CID 23570058) is 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate is CC(C)(O)c1ccc(C(C)(C)OC(=O)n2ccnc2)cc1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate?
The InChIKey is YMLCLIHGOHNZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-15(2,20)12-5-7-13(8-6-12)16(3,4)21-14(19)18-10-9-17-11-18/h5-11,20H,1-4H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate?
2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-yl imidazole-1-carboxylate is sourced from PubChem (CID 23570058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).