5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde

C17H12O3 — CID 139223542

IUPAC5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde
SMILESCc1cc(-c2ccccc2)cc2occ(C=O)c(=O)c12
InChIInChI=1S/C17H12O3/c1-11-7-13(12-5-3-2-4-6-12)8-15-16(11)17(19)14(9-18)10-20-15/h2-10H,1H3
InChIKeyJVOPRRLEKOQSSR-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.58
Rot. Bonds2

About 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde

5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde (PubChem CID 139223542) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde
PubChem CID139223542
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde
SMILESCc1cc(-c2ccccc2)cc2occ(C=O)c(=O)c12
InChIInChI=1S/C17H12O3/c1-11-7-13(12-5-3-2-4-6-12)8-15-16(11)17(19)14(9-18)10-20-15/h2-10H,1H3
InChIKeyJVOPRRLEKOQSSR-UHFFFAOYSA-N
XLogP3.58
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde?
The IUPAC name of 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde (CID 139223542) is 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde.
What is the SMILES notation for 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde?
The canonical SMILES for 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde is Cc1cc(-c2ccccc2)cc2occ(C=O)c(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde?
The InChIKey is JVOPRRLEKOQSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-11-7-13(12-5-3-2-4-6-12)8-15-16(11)17(19)14(9-18)10-20-15/h2-10H,1H3.
What are the key properties of 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde?
5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde has a molecular weight of 264.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-7-phenylchromene-3-carbaldehyde is sourced from PubChem (CID 139223542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).