(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate

C16H16O2 — CID 164546897

IUPAC(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(C)cccc1C1C=CC=C1
InChIInChI=1S/C16H16O2/c1-11(2)16(17)18-15-12(3)7-6-10-14(15)13-8-4-5-9-13/h4-10,13H,1H2,2-3H3
InChIKeyZTXKJYLTIIKUNE-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.69
Rot. Bonds3

About (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate

(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate (PubChem CID 164546897) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate
PubChem CID164546897
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(C)cccc1C1C=CC=C1
InChIInChI=1S/C16H16O2/c1-11(2)16(17)18-15-12(3)7-6-10-14(15)13-8-4-5-9-13/h4-10,13H,1H2,2-3H3
InChIKeyZTXKJYLTIIKUNE-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-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 (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate (CID 164546897) is (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(C)cccc1C1C=CC=C1.
What is the InChIKey of (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate?
The InChIKey is ZTXKJYLTIIKUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11(2)16(17)18-15-12(3)7-6-10-14(15)13-8-4-5-9-13/h4-10,13H,1H2,2-3H3.
What are the key properties of (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate?
(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 164546897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).