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

C16H15ClO2 — CID 3068857

IUPACpropan-2-yl 4-(2-chlorophenyl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-11(2)19-16(18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)17/h3-11H,1-2H3
InChIKeyJJPBNEXTWRWHSN-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.57
Rot. Bonds3

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

propan-2-yl 4-(2-chlorophenyl)benzoate (PubChem CID 3068857) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is propan-2-yl 4-(2-chlorophenyl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-chlorophenyl)benzoate
PubChem CID3068857
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Namepropan-2-yl 4-(2-chlorophenyl)benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClO2/c1-11(2)19-16(18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)17/h3-11H,1-2H3
InChIKeyJJPBNEXTWRWHSN-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-chlorophenyl)benzoate?
The IUPAC name of propan-2-yl 4-(2-chlorophenyl)benzoate (CID 3068857) is propan-2-yl 4-(2-chlorophenyl)benzoate.
What is the SMILES notation for propan-2-yl 4-(2-chlorophenyl)benzoate?
The canonical SMILES for propan-2-yl 4-(2-chlorophenyl)benzoate is CC(C)OC(=O)c1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of propan-2-yl 4-(2-chlorophenyl)benzoate?
The InChIKey is JJPBNEXTWRWHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-11(2)19-16(18)13-9-7-12(8-10-13)14-5-3-4-6-15(14)17/h3-11H,1-2H3.
What are the key properties of propan-2-yl 4-(2-chlorophenyl)benzoate?
propan-2-yl 4-(2-chlorophenyl)benzoate has a molecular weight of 274.75 g/mol, XLogP of 4.57, 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-chlorophenyl)benzoate is sourced from PubChem (CID 3068857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).