2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde

C13H12O2 — CID 150793274

IUPAC2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde
SMILESCc1ccccc1-c1coc(C)c1C=O
InChIInChI=1S/C13H12O2/c1-9-5-3-4-6-11(9)13-8-15-10(2)12(13)7-14/h3-8H,1-2H3
InChIKeyKEHLCSDZPOZRKX-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.38
Rot. Bonds2

About 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde

2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde (PubChem CID 150793274) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde
PubChem CID150793274
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde
SMILESCc1ccccc1-c1coc(C)c1C=O
InChIInChI=1S/C13H12O2/c1-9-5-3-4-6-11(9)13-8-15-10(2)12(13)7-14/h3-8H,1-2H3
InChIKeyKEHLCSDZPOZRKX-UHFFFAOYSA-N
XLogP3.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-(2-methylphenyl)benzaldehyde
CID 172876936
2-chloro-4-(2-methylphenyl)pyridine-3-carbaldehyde
CID 86223770
2,6-dimethylbenzaldehyde
CID 159545887
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
5-methyl-4-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
CID 105453412
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
1,5-dimethyl-3-(2-methylphenyl)pyrrole-2-carbaldehyde
CID 84679810
2-methyl-5-(2-methylphenyl)-3-oxo-1H-pyrazole-4-carbaldehyde
CID 84681744
4-methyl-5-(2-methylphenyl)-1,3-oxazole-2-carbaldehyde
CID 105453415
4,5-bis(2-methylphenyl)oxadiazole
CID 21443592
(2E,4E)-3-methyl-5-(4-methylazulen-1-yl)penta-2,4-dienal
CID 102094965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde?
The IUPAC name of 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde (CID 150793274) is 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde.
What is the SMILES notation for 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde?
The canonical SMILES for 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde is Cc1ccccc1-c1coc(C)c1C=O.
What is the InChIKey of 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde?
The InChIKey is KEHLCSDZPOZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-9-5-3-4-6-11(9)13-8-15-10(2)12(13)7-14/h3-8H,1-2H3.
What are the key properties of 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde?
2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde has a molecular weight of 200.24 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylphenyl)furan-3-carbaldehyde is sourced from PubChem (CID 150793274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).