2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione

C24H23ClO9 — CID 11983715

IUPAC2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione
SMILESCOc1cc2c(c(OC)c1Cl)C(=O)c1c(cc(OC)c(C(=O)CC3(C)OCCO3)c1OC)C2=O
InChIInChI=1S/C24H23ClO9/c1-24(33-6-7-34-24)10-13(26)18-14(29-2)8-11-16(22(18)31-4)21(28)17-12(20(11)27)9-15(30-3)19(25)23(17)32-5/h8-9H,6-7,10H2,1-5H3
InChIKeyIWSNEJFTDAXMAD-UHFFFAOYSA-N
MW490.89 g/mol
LogP3.49
Rot. Bonds7

About 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione

2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione (PubChem CID 11983715) has the molecular formula C24H23ClO9 and a molecular weight of 490.89 g/mol. Its IUPAC name is 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione.

Molecular Properties

Compound Name2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione
PubChem CID11983715
Molecular FormulaC24H23ClO9
Molecular Weight490.89 g/mol
Exact Mass490.10
IUPAC Name2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione
SMILESCOc1cc2c(c(OC)c1Cl)C(=O)c1c(cc(OC)c(C(=O)CC3(C)OCCO3)c1OC)C2=O
InChIInChI=1S/C24H23ClO9/c1-24(33-6-7-34-24)10-13(26)18-14(29-2)8-11-16(22(18)31-4)21(28)17-12(20(11)27)9-15(30-3)19(25)23(17)32-5/h8-9H,6-7,10H2,1-5H3
InChIKeyIWSNEJFTDAXMAD-UHFFFAOYSA-N
XLogP3.49
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.89
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-hydroxy-8-methoxy-3-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]anthracene-9,10-dione
CID 95931143
methyl 2-[2-hydroxy-12-methoxy-3-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]acetate
CID 10744228
1,6,8-trimethoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
CID 11394165
2-bromo-1-(5-chloro-4,6-dimethoxy-1-benzofuran-2-yl)ethanone
CID 118070679
2-bromo-1,5-dihydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]anthracene-9,10-dione
CID 10815409
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
[2-(2-methyl-1,3-dioxolan-2-yl)acetyl] 2-(2-methyl-1,3-dioxolan-2-yl)acetate
CID 154641855
2-(1-aminocyclobutyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116591329
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763055
methyl 4,8,11-trimethoxy-6-methyl-5,10-dioxonaphtho[3,2-f][1]benzofuran-7-carboxylate
CID 15923711
ethyl 3-chloro-2-formyl-4,6-dimethoxybenzoate
CID 102368936
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione?
The IUPAC name of 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione (CID 11983715) is 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione.
What is the SMILES notation for 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione?
The canonical SMILES for 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione is COc1cc2c(c(OC)c1Cl)C(=O)c1c(cc(OC)c(C(=O)CC3(C)OCCO3)c1OC)C2=O.
What is the InChIKey of 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione?
The InChIKey is IWSNEJFTDAXMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClO9/c1-24(33-6-7-34-24)10-13(26)18-14(29-2)8-11-16(22(18)31-4)21(28)17-12(20(11)27)9-15(30-3)19(25)23(17)32-5/h8-9H,6-7,10H2,1-5H3.
What are the key properties of 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione?
2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione has a molecular weight of 490.89 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,6,8-tetramethoxy-7-[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]anthracene-9,10-dione is sourced from PubChem (CID 11983715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).