(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate

C21H14O5 — CID 15294322

IUPAC(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
SMILESCC(=O)Oc1c2c(c(OC(C)=O)c3ccccc13)-c1ccccc1C2=O
InChIInChI=1S/C21H14O5/c1-11(22)25-20-15-9-5-6-10-16(15)21(26-12(2)23)18-17(20)13-7-3-4-8-14(13)19(18)24/h3-10H,1-2H3
InChIKeyHSJFKPGVINTXOR-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.90
Rot. Bonds2

About (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate

(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate (PubChem CID 15294322) has the molecular formula C21H14O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate.

Molecular Properties

Compound Name(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
PubChem CID15294322
Molecular FormulaC21H14O5
Molecular Weight346.34 g/mol
Exact Mass346.08
IUPAC Name(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate
SMILESCC(=O)Oc1c2c(c(OC(C)=O)c3ccccc13)-c1ccccc1C2=O
InChIInChI=1S/C21H14O5/c1-11(22)25-20-15-9-5-6-10-16(15)21(26-12(2)23)18-17(20)13-7-3-4-8-14(13)19(18)24/h3-10H,1-2H3
InChIKeyHSJFKPGVINTXOR-UHFFFAOYSA-N
XLogP3.90
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-diacetyloxy-9,10-dioxoanthracen-2-yl)acetic acid
CID 10385215
(2-methyl-9,10-dioxoanthracen-1-yl) acetate
CID 5146503
(4-acetyloxy-2,3-dimethylnaphthalen-1-yl) acetate
CID 4077745
(2,3,4-trihydroxy-9,10-dioxoanthracen-1-yl) hydrogen carbonate
CID 87812315
(4-acetyloxy-9,10-dioxoanthracen-2-yl) acetate
CID 3754690
(3,11-dioxo-10,12-diphenyl-2-oxatricyclo[6.4.1.04,13]trideca-1(12),4,6,8(13),9-pentaen-9-yl) acetate
CID 5245721
(1-oxo-10-phenylsulfanyl-3,4-dihydro-2H-anthracen-9-yl) acetate
CID 15415844
[2,6-bis(2-propan-2-ylphenyl)phenyl] acetate
CID 101088092
(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate
CID 134120096
6,11-dioxotetracene-5,12-diolate
CID 102258482
lithium;hydride;phenyl acetate
CID 173276859
(5-methyl-6,11-dioxobenzo[b]carbazol-2-yl) acetate
CID 10615565

Frequently Asked Questions

What is the IUPAC name of (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate?
The IUPAC name of (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate (CID 15294322) is (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate.
What is the SMILES notation for (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate?
The canonical SMILES for (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate is CC(=O)Oc1c2c(c(OC(C)=O)c3ccccc13)-c1ccccc1C2=O.
What is the InChIKey of (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate?
The InChIKey is HSJFKPGVINTXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O5/c1-11(22)25-20-15-9-5-6-10-16(15)21(26-12(2)23)18-17(20)13-7-3-4-8-14(13)19(18)24/h3-10H,1-2H3.
What are the key properties of (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate?
(10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate has a molecular weight of 346.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10-acetyloxy-11-oxobenzo[b]fluoren-5-yl) acetate is sourced from PubChem (CID 15294322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).