(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate

C24H18O5 — CID 8867472

IUPAC(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
SMILESCOc1ccc(C)cc1COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H18O5/c1-14-10-11-20(28-2)15(12-14)13-29-24(27)19-9-5-8-18-21(19)23(26)17-7-4-3-6-16(17)22(18)25/h3-12H,13H2,1-2H3
InChIKeyOAJYRVDTPLRTQM-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.14
Rot. Bonds4

About (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate

(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate (PubChem CID 8867472) has the molecular formula C24H18O5 and a molecular weight of 386.40 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
PubChem CID8867472
Molecular FormulaC24H18O5
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Name(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
SMILESCOc1ccc(C)cc1COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C24H18O5/c1-14-10-11-20(28-2)15(12-14)13-29-24(27)19-9-5-8-18-21(19)23(26)17-7-4-3-6-16(17)22(18)25/h3-12H,13H2,1-2H3
InChIKeyOAJYRVDTPLRTQM-UHFFFAOYSA-N
XLogP4.14
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate 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

(2-methoxy-5-methylphenyl)methyl 2-aminobenzoate
CID 60730510
(5-fluoro-2-methoxyphenyl)methyl 1-chloro-9,10-dioxoanthracene-2-carboxylate
CID 55313632
(2-methoxy-5-methylphenyl)methyl 2-acetamido-3-methylbenzoate
CID 18169991
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
CID 8954351
(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
benzyl 9-oxofluorene-4-carboxylate
CID 21241008
(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
CID 18197147
12-(9-oxofluorene-4-carbonyl)oxydodecyl 9-oxofluorene-4-carboxylate
CID 122493784
(4-methylsulfanylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 7694423
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
[2-(methylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969695
butyl 9,10-dioxoanthracene-1-carboxylate
CID 18098381

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate?
The IUPAC name of (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate (CID 8867472) is (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate.
What is the SMILES notation for (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate?
The canonical SMILES for (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate is COc1ccc(C)cc1COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate?
The InChIKey is OAJYRVDTPLRTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O5/c1-14-10-11-20(28-2)15(12-14)13-29-24(27)19-9-5-8-18-21(19)23(26)17-7-4-3-6-16(17)22(18)25/h3-12H,13H2,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate?
(2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)methyl 9,10-dioxoanthracene-1-carboxylate is sourced from PubChem (CID 8867472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).