3-methyl-4-(2-phenoxyethoxy)benzaldehyde

C16H16O3 — CID 54794840

IUPAC3-methyl-4-(2-phenoxyethoxy)benzaldehyde
SMILESCc1cc(C=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C16H16O3/c1-13-11-14(12-17)7-8-16(13)19-10-9-18-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3
InChIKeyAHIPRUXUTRWHME-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.27
Rot. Bonds6

About 3-methyl-4-(2-phenoxyethoxy)benzaldehyde

3-methyl-4-(2-phenoxyethoxy)benzaldehyde (PubChem CID 54794840) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methyl-4-(2-phenoxyethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methyl-4-(2-phenoxyethoxy)benzaldehyde
PubChem CID54794840
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-methyl-4-(2-phenoxyethoxy)benzaldehyde
SMILESCc1cc(C=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C16H16O3/c1-13-11-14(12-17)7-8-16(13)19-10-9-18-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3
InChIKeyAHIPRUXUTRWHME-UHFFFAOYSA-N
XLogP3.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methylphenoxy)ethoxy]benzaldehyde
CID 2295834
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
CID 80631732
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
3-methyl-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 86607089
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
2-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 79118702
3-methyl-4-naphthalen-2-yloxybenzaldehyde
CID 63535815
3-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]benzaldehyde
CID 20986486
3-(4-formyl-2-methylphenoxy)benzonitrile
CID 62121795
3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
CID 2219731
3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22684618

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-phenoxyethoxy)benzaldehyde?
The IUPAC name of 3-methyl-4-(2-phenoxyethoxy)benzaldehyde (CID 54794840) is 3-methyl-4-(2-phenoxyethoxy)benzaldehyde.
What is the SMILES notation for 3-methyl-4-(2-phenoxyethoxy)benzaldehyde?
The canonical SMILES for 3-methyl-4-(2-phenoxyethoxy)benzaldehyde is Cc1cc(C=O)ccc1OCCOc1ccccc1.
What is the InChIKey of 3-methyl-4-(2-phenoxyethoxy)benzaldehyde?
The InChIKey is AHIPRUXUTRWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-13-11-14(12-17)7-8-16(13)19-10-9-18-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 3-methyl-4-(2-phenoxyethoxy)benzaldehyde?
3-methyl-4-(2-phenoxyethoxy)benzaldehyde has a molecular weight of 256.30 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-phenoxyethoxy)benzaldehyde is sourced from PubChem (CID 54794840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).