5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde

C15H16O2 — CID 91285216

IUPAC5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde
SMILESCc1cc(C)c(Cc2ccc(C=O)o2)c(C)c1
InChIInChI=1S/C15H16O2/c1-10-6-11(2)15(12(3)7-10)8-13-4-5-14(9-16)17-13/h4-7,9H,8H2,1-3H3
InChIKeyXWPLCHWWOSOYMW-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.61
Rot. Bonds3

About 5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde

5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde (PubChem CID 91285216) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde
PubChem CID91285216
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde
SMILESCc1cc(C)c(Cc2ccc(C=O)o2)c(C)c1
InChIInChI=1S/C15H16O2/c1-10-6-11(2)15(12(3)7-10)8-13-4-5-14(9-16)17-13/h4-7,9H,8H2,1-3H3
InChIKeyXWPLCHWWOSOYMW-UHFFFAOYSA-N
XLogP3.61
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde (CID 91285216) is 5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde is Cc1cc(C)c(Cc2ccc(C=O)o2)c(C)c1.
What is the InChIKey of 5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde?
The InChIKey is XWPLCHWWOSOYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10-6-11(2)15(12(3)7-10)8-13-4-5-14(9-16)17-13/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde?
5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde has a molecular weight of 228.29 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 91285216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).