anthracene;ethyl 2-methylprop-2-enoate

C20H20O2 — CID 126715245

IUPACanthracene;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H10O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4-8-6(7)5(2)3/h1-10H;2,4H2,1,3H3
InChIKeyPYNDHTFPSWACCI-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.12
Rot. Bonds2

About anthracene;ethyl 2-methylprop-2-enoate

anthracene;ethyl 2-methylprop-2-enoate (PubChem CID 126715245) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is anthracene;ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameanthracene;ethyl 2-methylprop-2-enoate
PubChem CID126715245
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Nameanthracene;ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H10O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4-8-6(7)5(2)3/h1-10H;2,4H2,1,3H3
InChIKeyPYNDHTFPSWACCI-UHFFFAOYSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracene;ethyl 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

Related Compounds

ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
ethyl 2-methylprop-2-enoate
CID 130475774
chlorobenzene;ethyl 2-methylprop-2-enoate;hydrate
CID 158184145
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
methyl 2-methylprop-2-enoate;pentacene
CID 159710658
ethanol;ethoxybenzene;ethyl 2-methylprop-2-enoate;methane;propane;toluene
CID 157069050
anthracene;ethyl carbamate
CID 174381530
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862

Frequently Asked Questions

What is the IUPAC name of anthracene;ethyl 2-methylprop-2-enoate?
The IUPAC name of anthracene;ethyl 2-methylprop-2-enoate (CID 126715245) is anthracene;ethyl 2-methylprop-2-enoate.
What is the SMILES notation for anthracene;ethyl 2-methylprop-2-enoate?
The canonical SMILES for anthracene;ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;ethyl 2-methylprop-2-enoate?
The InChIKey is PYNDHTFPSWACCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C6H10O2/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-4-8-6(7)5(2)3/h1-10H;2,4H2,1,3H3.
What are the key properties of anthracene;ethyl 2-methylprop-2-enoate?
anthracene;ethyl 2-methylprop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 126715245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).