3,6-dimethoxy-10H-anthracen-9-one

C16H14O3 — CID 142018270

IUPAC3,6-dimethoxy-10H-anthracen-9-one
SMILESCOc1ccc2c(c1)Cc1cc(OC)ccc1C2=O
InChIInChI=1S/C16H14O3/c1-18-12-3-5-14-10(8-12)7-11-9-13(19-2)4-6-15(11)16(14)17/h3-6,8-9H,7H2,1-2H3
InChIKeyUYZBSJKLOOBCNA-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.84
Rot. Bonds2

About 3,6-dimethoxy-10H-anthracen-9-one

3,6-dimethoxy-10H-anthracen-9-one (PubChem CID 142018270) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3,6-dimethoxy-10H-anthracen-9-one.

Molecular Properties

Compound Name3,6-dimethoxy-10H-anthracen-9-one
PubChem CID142018270
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name3,6-dimethoxy-10H-anthracen-9-one
SMILESCOc1ccc2c(c1)Cc1cc(OC)ccc1C2=O
InChIInChI=1S/C16H14O3/c1-18-12-3-5-14-10(8-12)7-11-9-13(19-2)4-6-15(11)16(14)17/h3-6,8-9H,7H2,1-2H3
InChIKeyUYZBSJKLOOBCNA-UHFFFAOYSA-N
XLogP2.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-dimethoxy-10H-anthracen-9-one 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

5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320
2-[(3,5-dimethoxyphenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 54264295
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
CID 102106088
(2E)-2-[(4-chlorophenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 58855563
8-methoxy-6H-benzo[c][1]benzothiepin-11-one
CID 125471407
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
6-methoxy-4H-indeno[2,1-d][1,3]thiazole
CID 172548294
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
2-methoxy-9H-thioxanthene 10-oxide
CID 640900

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-10H-anthracen-9-one?
The IUPAC name of 3,6-dimethoxy-10H-anthracen-9-one (CID 142018270) is 3,6-dimethoxy-10H-anthracen-9-one.
What is the SMILES notation for 3,6-dimethoxy-10H-anthracen-9-one?
The canonical SMILES for 3,6-dimethoxy-10H-anthracen-9-one is COc1ccc2c(c1)Cc1cc(OC)ccc1C2=O.
What is the InChIKey of 3,6-dimethoxy-10H-anthracen-9-one?
The InChIKey is UYZBSJKLOOBCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-12-3-5-14-10(8-12)7-11-9-13(19-2)4-6-15(11)16(14)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3,6-dimethoxy-10H-anthracen-9-one?
3,6-dimethoxy-10H-anthracen-9-one has a molecular weight of 254.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-10H-anthracen-9-one is sourced from PubChem (CID 142018270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).