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

C16H16O4 — CID 172649732

IUPAC5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccccc1-c1ccc(OC)cc1C=O
InChIInChI=1S/C16H16O4/c1-18-11-20-16-6-4-3-5-15(16)14-8-7-13(19-2)9-12(14)10-17/h3-10H,11H2,1-2H3
InChIKeyLBALBIPIMFXQIX-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.16
Rot. Bonds6

About 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde

5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde (PubChem CID 172649732) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
PubChem CID172649732
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1ccccc1-c1ccc(OC)cc1C=O
InChIInChI=1S/C16H16O4/c1-18-11-20-16-6-4-3-5-15(16)14-8-7-13(19-2)9-12(14)10-17/h3-10H,11H2,1-2H3
InChIKeyLBALBIPIMFXQIX-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'}

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Related Compounds

2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649741
2-[4-methoxy-2-(methoxymethoxy)phenyl]-3-propoxybenzaldehyde
CID 22131273
5-methoxy-2-phenanthren-1-ylbenzaldehyde
CID 101454325
2-(2-acetylphenyl)-5-methoxybenzaldehyde
CID 42645450
2-fluoro-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649767
deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
CID 160741711
2-(2-ethoxyphenyl)-5-methylbenzaldehyde
CID 172649130
2-[4-(methoxymethoxy)phenyl]benzaldehyde
CID 22125803
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
CID 114077817

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde?
The IUPAC name of 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde (CID 172649732) is 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde?
The canonical SMILES for 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde is COCOc1ccccc1-c1ccc(OC)cc1C=O.
What is the InChIKey of 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde?
The InChIKey is LBALBIPIMFXQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-18-11-20-16-6-4-3-5-15(16)14-8-7-13(19-2)9-12(14)10-17/h3-10H,11H2,1-2H3.
What are the key properties of 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde?
5-methoxy-2-[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 5-methoxy-2-[2-(methoxymethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 172649732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).