propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate

C15H20O2 — CID 67541560

IUPACpropan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCC(C)OC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20O2/c1-11(2)14-8-5-13(6-9-14)7-10-15(16)17-12(3)4/h5-12H,1-4H3
InChIKeyZXWJOCNGCUPEMH-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.77
Rot. Bonds4

About propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate

propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate (PubChem CID 67541560) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
PubChem CID67541560
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namepropan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
SMILESCC(C)OC(=O)C=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C15H20O2/c1-11(2)14-8-5-13(6-9-14)7-10-15(16)17-12(3)4/h5-12H,1-4H3
InChIKeyZXWJOCNGCUPEMH-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3-(4-chlorophenyl)prop-2-enoate
CID 2755677
propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 140807731
propan-2-yl 3-(4-cyanophenyl)prop-2-enoate
CID 112722924
[1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 4108023
(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181737
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 5044807
dipropan-2-yl 2-[(4-propan-2-ylphenyl)methylidene]propanedioate
CID 170549900
ethyl (E)-3-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]prop-2-enoate
CID 27901978
(2-chlorophenyl)methyl (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 7574706
benzhydryl (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187389
butan-2-yl (E)-3-(4-chlorophenyl)prop-2-enoate
CID 130331827

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate?
The IUPAC name of propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate (CID 67541560) is propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate.
What is the SMILES notation for propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate?
The canonical SMILES for propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate is CC(C)OC(=O)C=Cc1ccc(C(C)C)cc1.
What is the InChIKey of propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate?
The InChIKey is ZXWJOCNGCUPEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11(2)14-8-5-13(6-9-14)7-10-15(16)17-12(3)4/h5-12H,1-4H3.
What are the key properties of propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate?
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate is sourced from PubChem (CID 67541560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).