6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde

C14H12O4 — CID 77107216

IUPAC6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde
SMILESC=Cc1cc2c(=O)c(C)c(C)oc2c(C=O)c1O
InChIInChI=1S/C14H12O4/c1-4-9-5-10-12(16)7(2)8(3)18-14(10)11(6-15)13(9)17/h4-6,17H,1H2,2-3H3
InChIKeyMULNTQIUUFIIJT-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.57
Rot. Bonds2

About 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde

6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde (PubChem CID 77107216) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde.

Molecular Properties

Compound Name6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde
PubChem CID77107216
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde
SMILESC=Cc1cc2c(=O)c(C)c(C)oc2c(C=O)c1O
InChIInChI=1S/C14H12O4/c1-4-9-5-10-12(16)7(2)8(3)18-14(10)11(6-15)13(9)17/h4-6,17H,1H2,2-3H3
InChIKeyMULNTQIUUFIIJT-UHFFFAOYSA-N
XLogP2.57
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde?
The IUPAC name of 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde (CID 77107216) is 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde.
What is the SMILES notation for 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde?
The canonical SMILES for 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde is C=Cc1cc2c(=O)c(C)c(C)oc2c(C=O)c1O.
What is the InChIKey of 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde?
The InChIKey is MULNTQIUUFIIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-4-9-5-10-12(16)7(2)8(3)18-14(10)11(6-15)13(9)17/h4-6,17H,1H2,2-3H3.
What are the key properties of 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde?
6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde has a molecular weight of 244.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-7-hydroxy-2,3-dimethyl-4-oxochromene-8-carbaldehyde is sourced from PubChem (CID 77107216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).