3-(2-benzyl-4-methoxypentoxy)propanal

C16H24O3 — CID 142045898

IUPAC3-(2-benzyl-4-methoxypentoxy)propanal
SMILESCOC(C)CC(COCCC=O)Cc1ccccc1
InChIInChI=1S/C16H24O3/c1-14(18-2)11-16(13-19-10-6-9-17)12-15-7-4-3-5-8-15/h3-5,7-9,14,16H,6,10-13H2,1-2H3
InChIKeyZRJWVMDDVWJXPA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.88
Rot. Bonds10

About 3-(2-benzyl-4-methoxypentoxy)propanal

3-(2-benzyl-4-methoxypentoxy)propanal (PubChem CID 142045898) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-benzyl-4-methoxypentoxy)propanal.

Molecular Properties

Compound Name3-(2-benzyl-4-methoxypentoxy)propanal
PubChem CID142045898
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name3-(2-benzyl-4-methoxypentoxy)propanal
SMILESCOC(C)CC(COCCC=O)Cc1ccccc1
InChIInChI=1S/C16H24O3/c1-14(18-2)11-16(13-19-10-6-9-17)12-15-7-4-3-5-8-15/h3-5,7-9,14,16H,6,10-13H2,1-2H3
InChIKeyZRJWVMDDVWJXPA-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.88
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'}

Analyze 3-(2-benzyl-4-methoxypentoxy)propanal 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-benzyl-5-phenylpentanal
CID 151491090
3-benzyl-5-methylhexanal
CID 91400659
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
4-methoxy-N-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 113382938
(4R)-4-(phenylmethoxymethyl)hexanal
CID 89139563
3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal
CID 123354844
(2S)-2-benzyl-3-methylbutanal
CID 12021275
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
[(1R,2S)-2-benzyl-1-deuterio-3-methoxypropyl]benzene
CID 136901487
2-benzyl-N-ethyl-3-methoxypropan-1-amine
CID 103984212
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
2-benzyl-N-(2-methoxyethyl)-4-methylpentan-1-amine
CID 62725640

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-4-methoxypentoxy)propanal?
The IUPAC name of 3-(2-benzyl-4-methoxypentoxy)propanal (CID 142045898) is 3-(2-benzyl-4-methoxypentoxy)propanal.
What is the SMILES notation for 3-(2-benzyl-4-methoxypentoxy)propanal?
The canonical SMILES for 3-(2-benzyl-4-methoxypentoxy)propanal is COC(C)CC(COCCC=O)Cc1ccccc1.
What is the InChIKey of 3-(2-benzyl-4-methoxypentoxy)propanal?
The InChIKey is ZRJWVMDDVWJXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-14(18-2)11-16(13-19-10-6-9-17)12-15-7-4-3-5-8-15/h3-5,7-9,14,16H,6,10-13H2,1-2H3.
What are the key properties of 3-(2-benzyl-4-methoxypentoxy)propanal?
3-(2-benzyl-4-methoxypentoxy)propanal has a molecular weight of 264.37 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-4-methoxypentoxy)propanal is sourced from PubChem (CID 142045898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).