propan-2-yl 4-(2-methylphenyl)benzoate

C17H18O2 — CID 139781479

IUPACpropan-2-yl 4-(2-methylphenyl)benzoate
SMILESCc1ccccc1-c1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C17H18O2/c1-12(2)19-17(18)15-10-8-14(9-11-15)16-7-5-4-6-13(16)3/h4-12H,1-3H3
InChIKeyIEULJPUHHAOXGD-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.23
Rot. Bonds3

About propan-2-yl 4-(2-methylphenyl)benzoate

propan-2-yl 4-(2-methylphenyl)benzoate (PubChem CID 139781479) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is propan-2-yl 4-(2-methylphenyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-methylphenyl)benzoate
PubChem CID139781479
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Namepropan-2-yl 4-(2-methylphenyl)benzoate
SMILESCc1ccccc1-c1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C17H18O2/c1-12(2)19-17(18)15-10-8-14(9-11-15)16-7-5-4-6-13(16)3/h4-12H,1-3H3
InChIKeyIEULJPUHHAOXGD-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze propan-2-yl 4-(2-methylphenyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-methylphenyl)benzoate?
The IUPAC name of propan-2-yl 4-(2-methylphenyl)benzoate (CID 139781479) is propan-2-yl 4-(2-methylphenyl)benzoate.
What is the SMILES notation for propan-2-yl 4-(2-methylphenyl)benzoate?
The canonical SMILES for propan-2-yl 4-(2-methylphenyl)benzoate is Cc1ccccc1-c1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-(2-methylphenyl)benzoate?
The InChIKey is IEULJPUHHAOXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12(2)19-17(18)15-10-8-14(9-11-15)16-7-5-4-6-13(16)3/h4-12H,1-3H3.
What are the key properties of propan-2-yl 4-(2-methylphenyl)benzoate?
propan-2-yl 4-(2-methylphenyl)benzoate has a molecular weight of 254.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2-methylphenyl)benzoate is sourced from PubChem (CID 139781479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).