5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde

C14H14O3 — CID 65237718

IUPAC5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde
SMILESCc1ccc(C)c(Oc2ccc(C=O)o2)c1C
InChIInChI=1S/C14H14O3/c1-9-4-5-10(2)14(11(9)3)17-13-7-6-12(8-15)16-13/h4-8H,1-3H3
InChIKeyBLWHRUMVXRHMBB-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.81
Rot. Bonds3

About 5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde

5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde (PubChem CID 65237718) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde
PubChem CID65237718
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde
SMILESCc1ccc(C)c(Oc2ccc(C=O)o2)c1C
InChIInChI=1S/C14H14O3/c1-9-4-5-10(2)14(11(9)3)17-13-7-6-12(8-15)16-13/h4-8H,1-3H3
InChIKeyBLWHRUMVXRHMBB-UHFFFAOYSA-N
XLogP3.81
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.81
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-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde?
The IUPAC name of 5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde (CID 65237718) is 5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde is Cc1ccc(C)c(Oc2ccc(C=O)o2)c1C.
What is the InChIKey of 5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde?
The InChIKey is BLWHRUMVXRHMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9-4-5-10(2)14(11(9)3)17-13-7-6-12(8-15)16-13/h4-8H,1-3H3.
What are the key properties of 5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde?
5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde has a molecular weight of 230.26 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,6-trimethylphenoxy)furan-2-carbaldehyde is sourced from PubChem (CID 65237718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).