3-(furan-3-yl)-4-methylbenzaldehyde

C12H10O2 — CID 105408137

IUPAC3-(furan-3-yl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1-c1ccoc1
InChIInChI=1S/C12H10O2/c1-9-2-3-10(7-13)6-12(9)11-4-5-14-8-11/h2-8H,1H3
InChIKeyFEKAGVZDEMEPOJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP3.07
Rot. Bonds2

About 3-(furan-3-yl)-4-methylbenzaldehyde

3-(furan-3-yl)-4-methylbenzaldehyde (PubChem CID 105408137) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-(furan-3-yl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-(furan-3-yl)-4-methylbenzaldehyde
PubChem CID105408137
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name3-(furan-3-yl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1-c1ccoc1
InChIInChI=1S/C12H10O2/c1-9-2-3-10(7-13)6-12(9)11-4-5-14-8-11/h2-8H,1H3
InChIKeyFEKAGVZDEMEPOJ-UHFFFAOYSA-N
XLogP3.07
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 53.07
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 3-(furan-3-yl)-4-methylbenzaldehyde?
The IUPAC name of 3-(furan-3-yl)-4-methylbenzaldehyde (CID 105408137) is 3-(furan-3-yl)-4-methylbenzaldehyde.
What is the SMILES notation for 3-(furan-3-yl)-4-methylbenzaldehyde?
The canonical SMILES for 3-(furan-3-yl)-4-methylbenzaldehyde is Cc1ccc(C=O)cc1-c1ccoc1.
What is the InChIKey of 3-(furan-3-yl)-4-methylbenzaldehyde?
The InChIKey is FEKAGVZDEMEPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c1-9-2-3-10(7-13)6-12(9)11-4-5-14-8-11/h2-8H,1H3.
What are the key properties of 3-(furan-3-yl)-4-methylbenzaldehyde?
3-(furan-3-yl)-4-methylbenzaldehyde has a molecular weight of 186.21 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-4-methylbenzaldehyde is sourced from PubChem (CID 105408137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).