5-methoxy-9,10-dioxoanthracene-2-carbaldehyde

C16H10O4 — CID 95931045

IUPAC5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
SMILESCOc1cccc2c1C(=O)c1ccc(C=O)cc1C2=O
InChIInChI=1S/C16H10O4/c1-20-13-4-2-3-11-14(13)16(19)10-6-5-9(8-17)7-12(10)15(11)18/h2-8H,1H3
InChIKeyBSIQHOYROXJWMJ-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.28
Rot. Bonds2

About 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde

5-methoxy-9,10-dioxoanthracene-2-carbaldehyde (PubChem CID 95931045) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
PubChem CID95931045
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
SMILESCOc1cccc2c1C(=O)c1ccc(C=O)cc1C2=O
InChIInChI=1S/C16H10O4/c1-20-13-4-2-3-11-14(13)16(19)10-6-5-9(8-17)7-12(10)15(11)18/h2-8H,1H3
InChIKeyBSIQHOYROXJWMJ-UHFFFAOYSA-N
XLogP2.28
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904
1,5-dimethoxyfluoren-9-one
CID 19594782
5-methoxy-9,10-dioxoanthracene-2-carboxamide
CID 169240451
6-benzyl-5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 100971114
3-fluoro-4-(2-fluoro-3-methoxyphenyl)benzaldehyde
CID 82811705
2-(1-hydroxyethyl)-8-methoxybenzo[f][1]benzofuran-4,9-dione
CID 14861205
1-methoxy-5-prop-2-enoxyanthracene-9,10-dione
CID 100970619
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
CID 11300971
[8-bis(2-formylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite
CID 58931597
1-hydroxy-8-methoxy-2-(2-methylprop-1-enyl)anthracene-9,10-dione
CID 10086578
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde?
The IUPAC name of 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde (CID 95931045) is 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde.
What is the SMILES notation for 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde?
The canonical SMILES for 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde is COc1cccc2c1C(=O)c1ccc(C=O)cc1C2=O.
What is the InChIKey of 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde?
The InChIKey is BSIQHOYROXJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c1-20-13-4-2-3-11-14(13)16(19)10-6-5-9(8-17)7-12(10)15(11)18/h2-8H,1H3.
What are the key properties of 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde?
5-methoxy-9,10-dioxoanthracene-2-carbaldehyde has a molecular weight of 266.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9,10-dioxoanthracene-2-carbaldehyde is sourced from PubChem (CID 95931045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).