4-ethoxy-3,5-dimethylbenzaldehyde

C11H14O2 — CID 18182978

IUPAC4-ethoxy-3,5-dimethylbenzaldehyde
SMILESCCOc1c(C)cc(C=O)cc1C
InChIInChI=1S/C11H14O2/c1-4-13-11-8(2)5-10(7-12)6-9(11)3/h5-7H,4H2,1-3H3
InChIKeyMFIBANLTLFSKKI-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.51
Rot. Bonds3

About 4-ethoxy-3,5-dimethylbenzaldehyde

4-ethoxy-3,5-dimethylbenzaldehyde (PubChem CID 18182978) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-ethoxy-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-ethoxy-3,5-dimethylbenzaldehyde
PubChem CID18182978
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-ethoxy-3,5-dimethylbenzaldehyde
SMILESCCOc1c(C)cc(C=O)cc1C
InChIInChI=1S/C11H14O2/c1-4-13-11-8(2)5-10(7-12)6-9(11)3/h5-7H,4H2,1-3H3
InChIKeyMFIBANLTLFSKKI-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.51
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 4-ethoxy-3,5-dimethylbenzaldehyde?
The IUPAC name of 4-ethoxy-3,5-dimethylbenzaldehyde (CID 18182978) is 4-ethoxy-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-ethoxy-3,5-dimethylbenzaldehyde?
The canonical SMILES for 4-ethoxy-3,5-dimethylbenzaldehyde is CCOc1c(C)cc(C=O)cc1C.
What is the InChIKey of 4-ethoxy-3,5-dimethylbenzaldehyde?
The InChIKey is MFIBANLTLFSKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-13-11-8(2)5-10(7-12)6-9(11)3/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethoxy-3,5-dimethylbenzaldehyde?
4-ethoxy-3,5-dimethylbenzaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 18182978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).