[2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate

C19H14O4 — CID 145218433

IUPAC[2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate
SMILESC=Cc1oc2cc3c(OC(C)=O)cccc3cc2c(=O)c1C=C
InChIInChI=1S/C19H14O4/c1-4-13-16(5-2)23-18-10-14-12(9-15(18)19(13)21)7-6-8-17(14)22-11(3)20/h4-10H,1-2H2,3H3
InChIKeyYHDKXWXKIABEJA-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.16
Rot. Bonds3

About [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate

[2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate (PubChem CID 145218433) has the molecular formula C19H14O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate.

Molecular Properties

Compound Name[2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate
PubChem CID145218433
Molecular FormulaC19H14O4
Molecular Weight306.32 g/mol
Exact Mass306.09
IUPAC Name[2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate
SMILESC=Cc1oc2cc3c(OC(C)=O)cccc3cc2c(=O)c1C=C
InChIInChI=1S/C19H14O4/c1-4-13-16(5-2)23-18-10-14-12(9-15(18)19(13)21)7-6-8-17(14)22-11(3)20/h4-10H,1-2H2,3H3
InChIKeyYHDKXWXKIABEJA-UHFFFAOYSA-N
XLogP4.16
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate?
The IUPAC name of [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate (CID 145218433) is [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate.
What is the SMILES notation for [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate?
The canonical SMILES for [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate is C=Cc1oc2cc3c(OC(C)=O)cccc3cc2c(=O)c1C=C.
What is the InChIKey of [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate?
The InChIKey is YHDKXWXKIABEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O4/c1-4-13-16(5-2)23-18-10-14-12(9-15(18)19(13)21)7-6-8-17(14)22-11(3)20/h4-10H,1-2H2,3H3.
What are the key properties of [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate?
[2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate has a molecular weight of 306.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate is sourced from PubChem (CID 145218433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).