[10-(acetyloxymethyl)anthracen-9-yl]methyl acetate

C20H18O4 — CID 613145

IUPAC[10-(acetyloxymethyl)anthracen-9-yl]methyl acetate
SMILESCC(=O)OCc1c2ccccc2c(COC(C)=O)c2ccccc12
InChIInChI=1S/C20H18O4/c1-13(21)23-11-19-15-7-3-5-9-17(15)20(12-24-14(2)22)18-10-6-4-8-16(18)19/h3-10H,11-12H2,1-2H3
InChIKeyBVPQUFPFMVPKTA-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.12
Rot. Bonds4

About [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate

[10-(acetyloxymethyl)anthracen-9-yl]methyl acetate (PubChem CID 613145) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate.

Molecular Properties

Compound Name[10-(acetyloxymethyl)anthracen-9-yl]methyl acetate
PubChem CID613145
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name[10-(acetyloxymethyl)anthracen-9-yl]methyl acetate
SMILESCC(=O)OCc1c2ccccc2c(COC(C)=O)c2ccccc12
InChIInChI=1S/C20H18O4/c1-13(21)23-11-19-15-7-3-5-9-17(15)20(12-24-14(2)22)18-10-6-4-8-16(18)19/h3-10H,11-12H2,1-2H3
InChIKeyBVPQUFPFMVPKTA-UHFFFAOYSA-N
XLogP4.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate?
The IUPAC name of [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate (CID 613145) is [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate.
What is the SMILES notation for [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate?
The canonical SMILES for [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate is CC(=O)OCc1c2ccccc2c(COC(C)=O)c2ccccc12.
What is the InChIKey of [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate?
The InChIKey is BVPQUFPFMVPKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-13(21)23-11-19-15-7-3-5-9-17(15)20(12-24-14(2)22)18-10-6-4-8-16(18)19/h3-10H,11-12H2,1-2H3.
What are the key properties of [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate?
[10-(acetyloxymethyl)anthracen-9-yl]methyl acetate has a molecular weight of 322.36 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(acetyloxymethyl)anthracen-9-yl]methyl acetate is sourced from PubChem (CID 613145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).