2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate

C18H17O4- — CID 71353605

IUPAC2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate
SMILESCC(C)(Cc1ccccc1)OC(=O)c1ccccc1C(=O)[O-]
InChIInChI=1S/C18H18O4/c1-18(2,12-13-8-4-3-5-9-13)22-17(21)15-11-7-6-10-14(15)16(19)20/h3-11H,12H2,1-2H3,(H,19,20)/p-1
InChIKeyAWRJOPCUDITVRP-UHFFFAOYSA-M
MW297.33 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate

2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate (PubChem CID 71353605) has the molecular formula C18H17O4- and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate.

Molecular Properties

Compound Name2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate
PubChem CID71353605
Molecular FormulaC18H17O4-
Molecular Weight297.33 g/mol
Exact Mass297.11
IUPAC Name2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate
SMILESCC(C)(Cc1ccccc1)OC(=O)c1ccccc1C(=O)[O-]
InChIInChI=1S/C18H18O4/c1-18(2,12-13-8-4-3-5-9-13)22-17(21)15-11-7-6-10-14(15)16(19)20/h3-11H,12H2,1-2H3,(H,19,20)/p-1
InChIKeyAWRJOPCUDITVRP-UHFFFAOYSA-M
XLogP2.23
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2-methyl-1-phenylpropan-2-yl) N-propan-2-ylcarbamate
CID 66626118
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate?
The IUPAC name of 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate (CID 71353605) is 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate.
What is the SMILES notation for 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate?
The canonical SMILES for 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate is CC(C)(Cc1ccccc1)OC(=O)c1ccccc1C(=O)[O-].
What is the InChIKey of 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate?
The InChIKey is AWRJOPCUDITVRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18O4/c1-18(2,12-13-8-4-3-5-9-13)22-17(21)15-11-7-6-10-14(15)16(19)20/h3-11H,12H2,1-2H3,(H,19,20)/p-1.
What are the key properties of 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate?
2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate has a molecular weight of 297.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenylpropan-2-yl)oxycarbonylbenzoate is sourced from PubChem (CID 71353605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).