(9-ethenylanthracen-1-yl) acetate

C18H14O2 — CID 87197961

IUPAC(9-ethenylanthracen-1-yl) acetate
SMILESC=Cc1c2ccccc2cc2cccc(OC(C)=O)c12
InChIInChI=1S/C18H14O2/c1-3-15-16-9-5-4-7-13(16)11-14-8-6-10-17(18(14)15)20-12(2)19/h3-11H,1H2,2H3
InChIKeyXQPGUAMJJIXUBH-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.56
Rot. Bonds2

About (9-ethenylanthracen-1-yl) acetate

(9-ethenylanthracen-1-yl) acetate (PubChem CID 87197961) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (9-ethenylanthracen-1-yl) acetate.

Molecular Properties

Compound Name(9-ethenylanthracen-1-yl) acetate
PubChem CID87197961
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name(9-ethenylanthracen-1-yl) acetate
SMILESC=Cc1c2ccccc2cc2cccc(OC(C)=O)c12
InChIInChI=1S/C18H14O2/c1-3-15-16-9-5-4-7-13(16)11-14-8-6-10-17(18(14)15)20-12(2)19/h3-11H,1H2,2H3
InChIKeyXQPGUAMJJIXUBH-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triphenylen-1-yl acetate
CID 87276472
[2-[(E)-2-anthracen-9-ylethenyl]quinolin-8-yl] acetate
CID 141407531
[2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate
CID 145218433
(9-anthracen-1-ylanthracen-1-yl) 2-methylprop-2-enoate
CID 155226956
(1-formylnaphthalen-2-yl) acetate
CID 2063426
(3-carbonochloridoyl-2-ethenylphenyl) acetate
CID 153225829
benzene;(2-ethenylphenyl) acetate
CID 175577038
(6-methylnaphthalen-1-yl) acetate
CID 14143439
(3-sulfanylnaphthalen-1-yl) acetate
CID 152863345
dibenzofuran-1-yl acetate
CID 14227245
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
(2,3-diacetyloxy-4-hydroxy-5-oxobenzo[7]annulen-6-yl) acetate
CID 71505385

Frequently Asked Questions

What is the IUPAC name of (9-ethenylanthracen-1-yl) acetate?
The IUPAC name of (9-ethenylanthracen-1-yl) acetate (CID 87197961) is (9-ethenylanthracen-1-yl) acetate.
What is the SMILES notation for (9-ethenylanthracen-1-yl) acetate?
The canonical SMILES for (9-ethenylanthracen-1-yl) acetate is C=Cc1c2ccccc2cc2cccc(OC(C)=O)c12.
What is the InChIKey of (9-ethenylanthracen-1-yl) acetate?
The InChIKey is XQPGUAMJJIXUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-3-15-16-9-5-4-7-13(16)11-14-8-6-10-17(18(14)15)20-12(2)19/h3-11H,1H2,2H3.
What are the key properties of (9-ethenylanthracen-1-yl) acetate?
(9-ethenylanthracen-1-yl) acetate has a molecular weight of 262.31 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethenylanthracen-1-yl) acetate is sourced from PubChem (CID 87197961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).