7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde

C11H8O5 — CID 15108317

IUPAC7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
SMILESCOc1c(O)c(C=O)cc2ccc(=O)oc12
InChIInChI=1S/C11H8O5/c1-15-11-9(14)7(5-12)4-6-2-3-8(13)16-10(6)11/h2-5,14H,1H3
InChIKeyIJNDWEFBRLVART-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.32
Rot. Bonds2

About 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde

7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde (PubChem CID 15108317) has the molecular formula C11H8O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
PubChem CID15108317
Molecular FormulaC11H8O5
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Name7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde
SMILESCOc1c(O)c(C=O)cc2ccc(=O)oc12
InChIInChI=1S/C11H8O5/c1-15-11-9(14)7(5-12)4-6-2-3-8(13)16-10(6)11/h2-5,14H,1H3
InChIKeyIJNDWEFBRLVART-UHFFFAOYSA-N
XLogP1.32
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde?
The IUPAC name of 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde (CID 15108317) is 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde.
What is the SMILES notation for 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde?
The canonical SMILES for 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde is COc1c(O)c(C=O)cc2ccc(=O)oc12.
What is the InChIKey of 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde?
The InChIKey is IJNDWEFBRLVART-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5/c1-15-11-9(14)7(5-12)4-6-2-3-8(13)16-10(6)11/h2-5,14H,1H3.
What are the key properties of 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde?
7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde has a molecular weight of 220.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-methoxy-2-oxochromene-6-carbaldehyde is sourced from PubChem (CID 15108317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).