2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde

C16H10O5 — CID 11550926

IUPAC2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde
SMILESCOc1cc2c(c(C=O)c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10O5/c1-21-12-6-10-13(11(7-17)15(12)19)16(20)9-5-3-2-4-8(9)14(10)18/h2-7,19H,1H3
InChIKeyHVUGIQFJZPPVFK-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.99
Rot. Bonds2

About 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde

2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde (PubChem CID 11550926) has the molecular formula C16H10O5 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde
PubChem CID11550926
Molecular FormulaC16H10O5
Molecular Weight282.25 g/mol
Exact Mass282.05
IUPAC Name2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde
SMILESCOc1cc2c(c(C=O)c1O)C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H10O5/c1-21-12-6-10-13(11(7-17)15(12)19)16(20)9-5-3-2-4-8(9)14(10)18/h2-7,19H,1H3
InChIKeyHVUGIQFJZPPVFK-UHFFFAOYSA-N
XLogP1.99
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-hydroxy-9,10-dioxo-1-(trideuteriomethoxy)anthracene-2-carbaldehyde
CID 162640478
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 91468164
2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde
CID 59599735
5-methoxy-9,10-dioxoanthracene-2-carbaldehyde
CID 95931045
10-[(4-hydroxy-3-methoxyphenyl)methylidene]anthracen-9-one
CID 12516081
5-methoxybenzo[b]fluoren-11-one
CID 10753817
2-hydroxy-1,3,7-trimethoxy-6-methylanthracene-9,10-dione
CID 163080913
1,2,3-trihydroxyanthracene-9,10-dione
CID 11768
methyl 4-(2-formyl-3,4-dihydroxy-5-methoxyphenyl)benzoate
CID 172796965
5-hydroxybenzo[b]fluoren-11-one
CID 177478830
1,3,5-trihydroxy-9,10-dioxoanthracene-2-carbaldehyde
CID 5320212
1-(hydroxymethyl)-2,4-dimethoxyanthracene-9,10-dione
CID 86099558

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde (CID 11550926) is 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde is COc1cc2c(c(C=O)c1O)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde?
The InChIKey is HVUGIQFJZPPVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O5/c1-21-12-6-10-13(11(7-17)15(12)19)16(20)9-5-3-2-4-8(9)14(10)18/h2-7,19H,1H3.
What are the key properties of 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde?
2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde has a molecular weight of 282.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde is sourced from PubChem (CID 11550926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).