dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate

C22H22Cl2O8 — CID 53254578

IUPACdimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate
SMILESCOC(=O)c1c2c(c(Cl)c(OC)c1OC)Cc1c(c(Cl)c(OC)c(OC)c1C(=O)OC)C2
InChIInChI=1S/C22H22Cl2O8/c1-27-17-13(21(25)31-5)9-7-12-10(8-11(9)15(23)19(17)29-3)14(22(26)32-6)18(28-2)20(30-4)16(12)24/h7-8H2,1-6H3
InChIKeyPDFRPSCUPIFIED-UHFFFAOYSA-N
MW485.32 g/mol
LogP4.10
Rot. Bonds6

About dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate

dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate (PubChem CID 53254578) has the molecular formula C22H22Cl2O8 and a molecular weight of 485.32 g/mol. Its IUPAC name is dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate
PubChem CID53254578
Molecular FormulaC22H22Cl2O8
Molecular Weight485.32 g/mol
Exact Mass484.07
IUPAC Namedimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate
SMILESCOC(=O)c1c2c(c(Cl)c(OC)c1OC)Cc1c(c(Cl)c(OC)c(OC)c1C(=O)OC)C2
InChIInChI=1S/C22H22Cl2O8/c1-27-17-13(21(25)31-5)9-7-12-10(8-11(9)15(23)19(17)29-3)14(22(26)32-6)18(28-2)20(30-4)16(12)24/h7-8H2,1-6H3
InChIKeyPDFRPSCUPIFIED-UHFFFAOYSA-N
XLogP4.10
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-chloro-2-hydroxy-4,5,6-trimethoxybenzoate
CID 10612541
methyl 2,3,4,5,6-pentachlorobenzoate
CID 12827694
methyl 3,5-dichloro-2-hydroxy-4,6-dimethoxybenzoate
CID 154361957
methyl 3-chloro-2-methoxy-5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylate
CID 171787922
methyl 3-bromo-2,5-dichloro-6-methoxybenzoate
CID 118562173
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
methyl 7-chloro-6-methoxy-3,4-dihydro-2H-thiochromene-5-carboxylate
CID 177336602
2-amino-1-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 117423184
methyl 5-chloro-2,4-dimethoxy-6-methyl-3-(3-methylbut-2-enyl)benzoate
CID 10903069
methyl 2,3,6-trifluoro-4-hydroxy-5-methoxybenzoate
CID 174654457
methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate
CID 851414
methyl 3-chloro-2-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate
CID 171787690

Frequently Asked Questions

What is the IUPAC name of dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate?
The IUPAC name of dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate (CID 53254578) is dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate.
What is the SMILES notation for dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate?
The canonical SMILES for dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate is COC(=O)c1c2c(c(Cl)c(OC)c1OC)Cc1c(c(Cl)c(OC)c(OC)c1C(=O)OC)C2.
What is the InChIKey of dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate?
The InChIKey is PDFRPSCUPIFIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2O8/c1-27-17-13(21(25)31-5)9-7-12-10(8-11(9)15(23)19(17)29-3)14(22(26)32-6)18(28-2)20(30-4)16(12)24/h7-8H2,1-6H3.
What are the key properties of dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate?
dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate has a molecular weight of 485.32 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,8-dichloro-2,3,6,7-tetramethoxy-9,10-dihydroanthracene-1,5-dicarboxylate is sourced from PubChem (CID 53254578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).