9,10-dimethoxy-2-methylanthracene-1,4-dione

C17H14O4 — CID 14283285

IUPAC9,10-dimethoxy-2-methylanthracene-1,4-dione
SMILESCOc1c2c(c(OC)c3ccccc13)C(=O)C(C)=CC2=O
InChIInChI=1S/C17H14O4/c1-9-8-12(18)13-14(15(9)19)17(21-3)11-7-5-4-6-10(11)16(13)20-2/h4-8H,1-3H3
InChIKeyCGKURDDUNHIEID-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.18
Rot. Bonds2

About 9,10-dimethoxy-2-methylanthracene-1,4-dione

9,10-dimethoxy-2-methylanthracene-1,4-dione (PubChem CID 14283285) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 9,10-dimethoxy-2-methylanthracene-1,4-dione.

Molecular Properties

Compound Name9,10-dimethoxy-2-methylanthracene-1,4-dione
PubChem CID14283285
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name9,10-dimethoxy-2-methylanthracene-1,4-dione
SMILESCOc1c2c(c(OC)c3ccccc13)C(=O)C(C)=CC2=O
InChIInChI=1S/C17H14O4/c1-9-8-12(18)13-14(15(9)19)17(21-3)11-7-5-4-6-10(11)16(13)20-2/h4-8H,1-3H3
InChIKeyCGKURDDUNHIEID-UHFFFAOYSA-N
XLogP3.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-methyl(513C)cyclohexa-2,5-diene-1,4-dione
CID 102024509
2-methylnaphthalene-1,4-dione
CID 102070817
3-bromo-2-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
CID 642461
5-chloro-8-hydroxy-2-methylnaphthalene-1,4-dione
CID 71324480
4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 18737433
5-fluoro-6-methoxybenzo[a]anthracene-7,12-dione
CID 102401480
6-bromo-4,7-dimethoxy-2,5-dimethylinden-1-one
CID 11300943
5-methoxybenzo[b]fluoren-11-one
CID 10753817
2,3-dimethoxyphenanthrene-1,4-dione
CID 14003225
5-methoxy-2-(trideuteriomethyl)naphthalene-1,4-dione
CID 162641575
4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione
CID 135461959
3,4-dimethoxyisochromen-1-one
CID 22924346

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethoxy-2-methylanthracene-1,4-dione?
The IUPAC name of 9,10-dimethoxy-2-methylanthracene-1,4-dione (CID 14283285) is 9,10-dimethoxy-2-methylanthracene-1,4-dione.
What is the SMILES notation for 9,10-dimethoxy-2-methylanthracene-1,4-dione?
The canonical SMILES for 9,10-dimethoxy-2-methylanthracene-1,4-dione is COc1c2c(c(OC)c3ccccc13)C(=O)C(C)=CC2=O.
What is the InChIKey of 9,10-dimethoxy-2-methylanthracene-1,4-dione?
The InChIKey is CGKURDDUNHIEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-9-8-12(18)13-14(15(9)19)17(21-3)11-7-5-4-6-10(11)16(13)20-2/h4-8H,1-3H3.
What are the key properties of 9,10-dimethoxy-2-methylanthracene-1,4-dione?
9,10-dimethoxy-2-methylanthracene-1,4-dione has a molecular weight of 282.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethoxy-2-methylanthracene-1,4-dione is sourced from PubChem (CID 14283285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).