propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate

C16H24O2 — CID 11139492

IUPACpropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OC(C)C)cc1
InChIInChI=1S/C16H24O2/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)18-12(3)4/h6-9,11-13H,10H2,1-5H3
InChIKeyRVZWLHIFEPTVBC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.94
Rot. Bonds5

About propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate

propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 11139492) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID11139492
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Namepropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(C)Cc1ccc(C(C)C(=O)OC(C)C)cc1
InChIInChI=1S/C16H24O2/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)18-12(3)4/h6-9,11-13H,10H2,1-5H3
InChIKeyRVZWLHIFEPTVBC-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate (CID 11139492) is propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate is CC(C)Cc1ccc(C(C)C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is RVZWLHIFEPTVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)18-12(3)4/h6-9,11-13H,10H2,1-5H3.
What are the key properties of propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate?
propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 248.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 11139492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).