2-[4-(methoxymethoxy)phenyl]benzaldehyde

C15H14O3 — CID 22125803

IUPAC2-[4-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccc(-c2ccccc2C=O)cc1
InChIInChI=1S/C15H14O3/c1-17-11-18-14-8-6-12(7-9-14)15-5-3-2-4-13(15)10-16/h2-10H,11H2,1H3
InChIKeyMOVOKRKMDQHVCN-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.15
Rot. Bonds5

About 2-[4-(methoxymethoxy)phenyl]benzaldehyde

2-[4-(methoxymethoxy)phenyl]benzaldehyde (PubChem CID 22125803) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[4-(methoxymethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-[4-(methoxymethoxy)phenyl]benzaldehyde
PubChem CID22125803
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-[4-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccc(-c2ccccc2C=O)cc1
InChIInChI=1S/C15H14O3/c1-17-11-18-14-8-6-12(7-9-14)15-5-3-2-4-13(15)10-16/h2-10H,11H2,1H3
InChIKeyMOVOKRKMDQHVCN-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethoxy)phenyl]benzaldehyde?
The IUPAC name of 2-[4-(methoxymethoxy)phenyl]benzaldehyde (CID 22125803) is 2-[4-(methoxymethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 2-[4-(methoxymethoxy)phenyl]benzaldehyde?
The canonical SMILES for 2-[4-(methoxymethoxy)phenyl]benzaldehyde is COCOc1ccc(-c2ccccc2C=O)cc1.
What is the InChIKey of 2-[4-(methoxymethoxy)phenyl]benzaldehyde?
The InChIKey is MOVOKRKMDQHVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-11-18-14-8-6-12(7-9-14)15-5-3-2-4-13(15)10-16/h2-10H,11H2,1H3.
What are the key properties of 2-[4-(methoxymethoxy)phenyl]benzaldehyde?
2-[4-(methoxymethoxy)phenyl]benzaldehyde has a molecular weight of 242.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 22125803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).