4-(2-methoxypropan-2-yl)benzaldehyde

C11H14O2 — CID 14121778

IUPAC4-(2-methoxypropan-2-yl)benzaldehyde
SMILESCOC(C)(C)c1ccc(C=O)cc1
InChIInChI=1S/C11H14O2/c1-11(2,13-3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKeyOSRMNGFVPJAIMS-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.38
Rot. Bonds3

About 4-(2-methoxypropan-2-yl)benzaldehyde

4-(2-methoxypropan-2-yl)benzaldehyde (PubChem CID 14121778) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)benzaldehyde
PubChem CID14121778
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-(2-methoxypropan-2-yl)benzaldehyde
SMILESCOC(C)(C)c1ccc(C=O)cc1
InChIInChI=1S/C11H14O2/c1-11(2,13-3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChIKeyOSRMNGFVPJAIMS-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-(2-methoxypropan-2-yl)benzaldehyde?
The IUPAC name of 4-(2-methoxypropan-2-yl)benzaldehyde (CID 14121778) is 4-(2-methoxypropan-2-yl)benzaldehyde.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)benzaldehyde?
The canonical SMILES for 4-(2-methoxypropan-2-yl)benzaldehyde is COC(C)(C)c1ccc(C=O)cc1.
What is the InChIKey of 4-(2-methoxypropan-2-yl)benzaldehyde?
The InChIKey is OSRMNGFVPJAIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2,13-3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3.
What are the key properties of 4-(2-methoxypropan-2-yl)benzaldehyde?
4-(2-methoxypropan-2-yl)benzaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)benzaldehyde is sourced from PubChem (CID 14121778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).