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

C16H16O4 — CID 172649769

IUPAC2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccccc1-c1ccc(C=O)c(OC)c1
InChIInChI=1S/C16H16O4/c1-18-11-20-15-6-4-3-5-14(15)12-7-8-13(10-17)16(9-12)19-2/h3-10H,11H2,1-2H3
InChIKeyOEVUNGFTDUSZKR-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.16
Rot. Bonds6

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

2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde (PubChem CID 172649769) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
PubChem CID172649769
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccccc1-c1ccc(C=O)c(OC)c1
InChIInChI=1S/C16H16O4/c1-18-11-20-15-6-4-3-5-14(15)12-7-8-13(10-17)16(9-12)19-2/h3-10H,11H2,1-2H3
InChIKeyOEVUNGFTDUSZKR-UHFFFAOYSA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(methoxymethoxy)phenyl]-2-(trifluoromethoxy)benzaldehyde
CID 172649770
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649767
5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649732
4-dibenzofuran-1-yl-2-methoxybenzaldehyde
CID 22566659
2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649741
2-[4-(methoxymethoxy)phenyl]benzaldehyde
CID 22125803
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde
CID 102346348
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
2-methoxy-4-pyridin-4-ylbenzaldehyde
CID 164891675

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde?
The IUPAC name of 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde (CID 172649769) is 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde?
The canonical SMILES for 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde is COCOc1ccccc1-c1ccc(C=O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde?
The InChIKey is OEVUNGFTDUSZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-11-20-15-6-4-3-5-14(15)12-7-8-13(10-17)16(9-12)19-2/h3-10H,11H2,1-2H3.
What are the key properties of 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde?
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde has a molecular weight of 272.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 172649769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).