2-anthracen-9-ylethyl prop-2-enoate

C19H16O2 — CID 18335281

IUPAC2-anthracen-9-ylethyl prop-2-enoate
SMILESC=CC(=O)OCCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H16O2/c1-2-19(20)21-12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h2-10,13H,1,11-12H2
InChIKeyHWCVEAUQMKUTRK-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.26
Rot. Bonds4

About 2-anthracen-9-ylethyl prop-2-enoate

2-anthracen-9-ylethyl prop-2-enoate (PubChem CID 18335281) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-anthracen-9-ylethyl prop-2-enoate.

Molecular Properties

Compound Name2-anthracen-9-ylethyl prop-2-enoate
PubChem CID18335281
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name2-anthracen-9-ylethyl prop-2-enoate
SMILESC=CC(=O)OCCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H16O2/c1-2-19(20)21-12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h2-10,13H,1,11-12H2
InChIKeyHWCVEAUQMKUTRK-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.26
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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Related Compounds

2-(3-prop-2-enoyloxypropoxy)ethyl anthracene-9-carboxylate
CID 163713436
2-hydroxy-3-(2-prop-2-enoyloxyethoxy)naphthalene-1-carboxylic acid
CID 22348600
2-[4-[3-[3-[4-(2-prop-2-enoyloxyethoxy)naphthalen-1-yl]naphthalen-2-yl]naphthalen-2-yl]naphthalen-1-yl]oxyethyl prop-2-enoate
CID 118232952
2-naphthalen-1-ylsulfanylethyl prop-2-enoate
CID 57077168
2-[3-phenoxy-4-[2-phenoxy-9,10-bis(2-prop-2-enoyloxyethyl)anthracen-1-yl]oxy-10-(2-prop-2-enoyloxyethyl)anthracen-9-yl]ethyl prop-2-enoate
CID 138558587
(2-hydroxy-3-prop-2-enoyloxypropyl) anthracene-9-carboxylate
CID 54261077
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
1-hydroxy-4-(2-prop-2-enoyloxyethyl)naphthalene-2,3-dicarboxylic acid;propyl prop-2-enoate
CID 67704213
2-anthracen-9-ylethyl 4,4-dimethyl-6-(prop-2-enylamino)hexanoate
CID 90334015
2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
2-(4-benzylphenyl)ethyl prop-2-enoate
CID 18316835

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-ylethyl prop-2-enoate?
The IUPAC name of 2-anthracen-9-ylethyl prop-2-enoate (CID 18335281) is 2-anthracen-9-ylethyl prop-2-enoate.
What is the SMILES notation for 2-anthracen-9-ylethyl prop-2-enoate?
The canonical SMILES for 2-anthracen-9-ylethyl prop-2-enoate is C=CC(=O)OCCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-anthracen-9-ylethyl prop-2-enoate?
The InChIKey is HWCVEAUQMKUTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-2-19(20)21-12-11-18-16-9-5-3-7-14(16)13-15-8-4-6-10-17(15)18/h2-10,13H,1,11-12H2.
What are the key properties of 2-anthracen-9-ylethyl prop-2-enoate?
2-anthracen-9-ylethyl prop-2-enoate has a molecular weight of 276.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-ylethyl prop-2-enoate is sourced from PubChem (CID 18335281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).