(12-oxobenzo[a]xanthen-10-yl) acetate

C19H12O4 — CID 135193706

IUPAC(12-oxobenzo[a]xanthen-10-yl) acetate
SMILESCC(=O)Oc1ccc2oc3ccc4ccccc4c3c(=O)c2c1
InChIInChI=1S/C19H12O4/c1-11(20)22-13-7-9-16-15(10-13)19(21)18-14-5-3-2-4-12(14)6-8-17(18)23-16/h2-10H,1H3
InChIKeyXSOVCBJRVKLNII-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.02
Rot. Bonds1

About (12-oxobenzo[a]xanthen-10-yl) acetate

(12-oxobenzo[a]xanthen-10-yl) acetate (PubChem CID 135193706) has the molecular formula C19H12O4 and a molecular weight of 304.30 g/mol. Its IUPAC name is (12-oxobenzo[a]xanthen-10-yl) acetate.

Molecular Properties

Compound Name(12-oxobenzo[a]xanthen-10-yl) acetate
PubChem CID135193706
Molecular FormulaC19H12O4
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC Name(12-oxobenzo[a]xanthen-10-yl) acetate
SMILESCC(=O)Oc1ccc2oc3ccc4ccccc4c3c(=O)c2c1
InChIInChI=1S/C19H12O4/c1-11(20)22-13-7-9-16-15(10-13)19(21)18-14-5-3-2-4-12(14)6-8-17(18)23-16/h2-10H,1H3
InChIKeyXSOVCBJRVKLNII-UHFFFAOYSA-N
XLogP4.02
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.02
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(2-formyl-1-oxobenzo[f]chromen-9-yl) acetate
CID 13051038
(6-acetyloxy-5-methyl-9-oxoxanthen-2-yl) acetate
CID 71397936
triphenylen-2-yl acetate;hydrochloride
CID 142787711
(6,8-diacetyloxy-9-oxoxanthen-3-yl) acetate
CID 70687596
(4-methyl-2-oxo-3-phenylchromen-6-yl) acetate
CID 7198791
9-fluorobenzo[a]xanthen-12-one
CID 135193713
ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
[1-acetyloxy-7-(bromomethyl)-9-oxoxanthen-3-yl] acetate
CID 10982355
2-ethoxyxanthen-9-one
CID 14150405
(2-benzyl-4-oxo-3,1-benzoxazin-6-yl) acetate
CID 789612
(2-naphthalen-2-yl-4-oxo-3,1-benzoxazin-6-yl) acetate
CID 9321741

Frequently Asked Questions

What is the IUPAC name of (12-oxobenzo[a]xanthen-10-yl) acetate?
The IUPAC name of (12-oxobenzo[a]xanthen-10-yl) acetate (CID 135193706) is (12-oxobenzo[a]xanthen-10-yl) acetate.
What is the SMILES notation for (12-oxobenzo[a]xanthen-10-yl) acetate?
The canonical SMILES for (12-oxobenzo[a]xanthen-10-yl) acetate is CC(=O)Oc1ccc2oc3ccc4ccccc4c3c(=O)c2c1.
What is the InChIKey of (12-oxobenzo[a]xanthen-10-yl) acetate?
The InChIKey is XSOVCBJRVKLNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O4/c1-11(20)22-13-7-9-16-15(10-13)19(21)18-14-5-3-2-4-12(14)6-8-17(18)23-16/h2-10H,1H3.
What are the key properties of (12-oxobenzo[a]xanthen-10-yl) acetate?
(12-oxobenzo[a]xanthen-10-yl) acetate has a molecular weight of 304.30 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12-oxobenzo[a]xanthen-10-yl) acetate is sourced from PubChem (CID 135193706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).