anthracen-9-ylmethyl 2-methylprop-2-enoate

C19H16O2 — CID 3618754

IUPACanthracen-9-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H16O2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1,12H2,2H3
InChIKeyMJYSISMEPNOHEG-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.61
Rot. Bonds3

About anthracen-9-ylmethyl 2-methylprop-2-enoate

anthracen-9-ylmethyl 2-methylprop-2-enoate (PubChem CID 3618754) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is anthracen-9-ylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameanthracen-9-ylmethyl 2-methylprop-2-enoate
PubChem CID3618754
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Nameanthracen-9-ylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H16O2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1,12H2,2H3
InChIKeyMJYSISMEPNOHEG-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.61
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'}

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl 2-methylprop-2-enoate?
The IUPAC name of anthracen-9-ylmethyl 2-methylprop-2-enoate (CID 3618754) is anthracen-9-ylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for anthracen-9-ylmethyl 2-methylprop-2-enoate?
The canonical SMILES for anthracen-9-ylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl 2-methylprop-2-enoate?
The InChIKey is MJYSISMEPNOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1,12H2,2H3.
What are the key properties of anthracen-9-ylmethyl 2-methylprop-2-enoate?
anthracen-9-ylmethyl 2-methylprop-2-enoate has a molecular weight of 276.34 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 3618754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).