7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde

C12H10O4 — CID 82027198

IUPAC7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde
SMILESCOc1ccc2c(=O)c(C=O)coc2c1C
InChIInChI=1S/C12H10O4/c1-7-10(15-2)4-3-9-11(14)8(5-13)6-16-12(7)9/h3-6H,1-2H3
InChIKeySZLWOYXSDPQGLD-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.92
Rot. Bonds2

About 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde

7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde (PubChem CID 82027198) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde
PubChem CID82027198
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde
SMILESCOc1ccc2c(=O)c(C=O)coc2c1C
InChIInChI=1S/C12H10O4/c1-7-10(15-2)4-3-9-11(14)8(5-13)6-16-12(7)9/h3-6H,1-2H3
InChIKeySZLWOYXSDPQGLD-UHFFFAOYSA-N
XLogP1.92
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-1-benzofuran-3-carbaldehyde
CID 131462840
6-chloro-7,8-dimethyl-4-oxochromene-3-carbaldehyde
CID 139223601
6-bromo-8-methyl-4-oxo-7-phenylmethoxychromene-3-carbaldehyde
CID 139223600
8-nitro-4-oxochromene-3-carbaldehyde
CID 15314455
3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437
4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
CID 23468872
4-hydroxy-7-methoxy-8-methylchromen-2-one
CID 54728807
3-amino-4-methoxy-2-methylbenzaldehyde
CID 150747577
8-bromo-7-methyl-6-nitro-4-oxochromene-3-carbaldehyde
CID 139223725
3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
CID 638205
5,6-dimethyl-9-oxoxanthene-4-carbaldehyde
CID 156873174
5,8-dimethoxy-2-methylquinoline-3-carbaldehyde
CID 15672393

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde?
The IUPAC name of 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde (CID 82027198) is 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde.
What is the SMILES notation for 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde?
The canonical SMILES for 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde is COc1ccc2c(=O)c(C=O)coc2c1C.
What is the InChIKey of 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde?
The InChIKey is SZLWOYXSDPQGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-7-10(15-2)4-3-9-11(14)8(5-13)6-16-12(7)9/h3-6H,1-2H3.
What are the key properties of 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde?
7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde has a molecular weight of 218.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-methyl-4-oxochromene-3-carbaldehyde is sourced from PubChem (CID 82027198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).