2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate

C23H26O4 — CID 69013812

IUPAC2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccccc1.C=CC(=O)OCCc1ccccc1
InChIInChI=1S/C12H14O2.C11H12O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11;1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,1,8-9H2,2H3;2-7H,1,8-9H2
InChIKeyMGSXTNHDPBPDMX-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.31
Rot. Bonds8

About 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate

2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate (PubChem CID 69013812) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate.

Molecular Properties

Compound Name2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate
PubChem CID69013812
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCc1ccccc1.C=CC(=O)OCCc1ccccc1
InChIInChI=1S/C12H14O2.C11H12O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11;1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,1,8-9H2,2H3;2-7H,1,8-9H2
InChIKeyMGSXTNHDPBPDMX-UHFFFAOYSA-N
XLogP4.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate?
The IUPAC name of 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate (CID 69013812) is 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate.
What is the SMILES notation for 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate?
The canonical SMILES for 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate is C=C(C)C(=O)OCCc1ccccc1.C=CC(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate?
The InChIKey is MGSXTNHDPBPDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C11H12O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11;1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,1,8-9H2,2H3;2-7H,1,8-9H2.
What are the key properties of 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate?
2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate has a molecular weight of 366.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-methylprop-2-enoate;2-phenylethyl prop-2-enoate is sourced from PubChem (CID 69013812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).