1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate

C15H19ClO2 — CID 141455971

IUPAC1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)Cc1ccccc1C(C)(C)Cl
InChIInChI=1S/C15H19ClO2/c1-5-14(17)18-11(2)10-12-8-6-7-9-13(12)15(3,4)16/h5-9,11H,1,10H2,2-4H3
InChIKeyZISCMRDVHDNCOM-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.82
Rot. Bonds5

About 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate

1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate (PubChem CID 141455971) has the molecular formula C15H19ClO2 and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate
PubChem CID141455971
Molecular FormulaC15H19ClO2
Molecular Weight266.77 g/mol
Exact Mass266.11
IUPAC Name1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)Cc1ccccc1C(C)(C)Cl
InChIInChI=1S/C15H19ClO2/c1-5-14(17)18-11(2)10-12-8-6-7-9-13(12)15(3,4)16/h5-9,11H,1,10H2,2-4H3
InChIKeyZISCMRDVHDNCOM-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate 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 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate?
The IUPAC name of 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate (CID 141455971) is 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate?
The canonical SMILES for 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate is C=CC(=O)OC(C)Cc1ccccc1C(C)(C)Cl.
What is the InChIKey of 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate?
The InChIKey is ZISCMRDVHDNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO2/c1-5-14(17)18-11(2)10-12-8-6-7-9-13(12)15(3,4)16/h5-9,11H,1,10H2,2-4H3.
What are the key properties of 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate?
1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate has a molecular weight of 266.77 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloropropan-2-yl)phenyl]propan-2-yl prop-2-enoate is sourced from PubChem (CID 141455971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).