5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde

C13H10O4 — CID 15311157

IUPAC5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde
SMILESCOc1ccc(-c2cocc(C=O)c2=O)cc1
InChIInChI=1S/C13H10O4/c1-16-11-4-2-9(3-5-11)12-8-17-7-10(6-14)13(12)15/h2-8H,1H3
InChIKeyMPGCHKVWPILLRX-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.13
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde

5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde (PubChem CID 15311157) has the molecular formula C13H10O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde
PubChem CID15311157
Molecular FormulaC13H10O4
Molecular Weight230.22 g/mol
Exact Mass230.06
IUPAC Name5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde
SMILESCOc1ccc(-c2cocc(C=O)c2=O)cc1
InChIInChI=1S/C13H10O4/c1-16-11-4-2-9(3-5-11)12-8-17-7-10(6-14)13(12)15/h2-8H,1H3
InChIKeyMPGCHKVWPILLRX-UHFFFAOYSA-N
XLogP2.13
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.13
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

3-(4-methoxyphenyl)phthalaldehyde
CID 174870899
2-(4-methoxyphenyl)furan-3-carbaldehyde
CID 86258825
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82518162
6-(4-methoxyphenyl)-2-methyl-3-oxopyridazine-4-carbaldehyde
CID 82444299
tert-butyl 4-formyl-3-(4-methoxyphenyl)indole-1-carboxylate
CID 46784525
7-methoxy-6-(4-methoxyphenyl)-2,3-dihydro-1H-indene-4-carbaldehyde
CID 86643105
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
2-[4-[9-[4-(2-formyl-4-methoxyphenyl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-5-methoxybenzaldehyde
CID 11169363
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde?
The IUPAC name of 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde (CID 15311157) is 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde?
The canonical SMILES for 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde is COc1ccc(-c2cocc(C=O)c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde?
The InChIKey is MPGCHKVWPILLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O4/c1-16-11-4-2-9(3-5-11)12-8-17-7-10(6-14)13(12)15/h2-8H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde?
5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde has a molecular weight of 230.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde is sourced from PubChem (CID 15311157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).