4-(methoxymethyl)benzaldehyde

C9H10O2 — CID 10171251

IUPAC4-(methoxymethyl)benzaldehyde
SMILESCOCc1ccc(C=O)cc1
InChIInChI=1S/C9H10O2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-6H,7H2,1H3
InChIKeyLHKUVIRLOYVRHW-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.65
Rot. Bonds3

About 4-(methoxymethyl)benzaldehyde

4-(methoxymethyl)benzaldehyde (PubChem CID 10171251) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 4-(methoxymethyl)benzaldehyde.

Molecular Properties

Compound Name4-(methoxymethyl)benzaldehyde
PubChem CID10171251
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name4-(methoxymethyl)benzaldehyde
SMILESCOCc1ccc(C=O)cc1
InChIInChI=1S/C9H10O2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-6H,7H2,1H3
InChIKeyLHKUVIRLOYVRHW-UHFFFAOYSA-N
XLogP1.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.65
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-(methoxymethyl)benzaldehyde?
The IUPAC name of 4-(methoxymethyl)benzaldehyde (CID 10171251) is 4-(methoxymethyl)benzaldehyde.
What is the SMILES notation for 4-(methoxymethyl)benzaldehyde?
The canonical SMILES for 4-(methoxymethyl)benzaldehyde is COCc1ccc(C=O)cc1.
What is the InChIKey of 4-(methoxymethyl)benzaldehyde?
The InChIKey is LHKUVIRLOYVRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-6H,7H2,1H3.
What are the key properties of 4-(methoxymethyl)benzaldehyde?
4-(methoxymethyl)benzaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)benzaldehyde is sourced from PubChem (CID 10171251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).