3-[2,4-bis(phenylmethoxy)phenyl]butanal

C24H24O3 — CID 138513595

IUPAC3-[2,4-bis(phenylmethoxy)phenyl]butanal
SMILESCC(CC=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C24H24O3/c1-19(14-15-25)23-13-12-22(26-17-20-8-4-2-5-9-20)16-24(23)27-18-21-10-6-3-7-11-21/h2-13,15-16,19H,14,17-18H2,1H3
InChIKeyWPSJZLHAHILAJK-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.54
Rot. Bonds9

About 3-[2,4-bis(phenylmethoxy)phenyl]butanal

3-[2,4-bis(phenylmethoxy)phenyl]butanal (PubChem CID 138513595) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-[2,4-bis(phenylmethoxy)phenyl]butanal.

Molecular Properties

Compound Name3-[2,4-bis(phenylmethoxy)phenyl]butanal
PubChem CID138513595
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name3-[2,4-bis(phenylmethoxy)phenyl]butanal
SMILESCC(CC=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C24H24O3/c1-19(14-15-25)23-13-12-22(26-17-20-8-4-2-5-9-20)16-24(23)27-18-21-10-6-3-7-11-21/h2-13,15-16,19H,14,17-18H2,1H3
InChIKeyWPSJZLHAHILAJK-UHFFFAOYSA-N
XLogP5.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2,4-bis(phenylmethoxy)phenyl]butanal 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

ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
2-[2,4-bis(phenylmethoxy)phenyl]acetaldehyde
CID 6709912
methyl 2-[3-[2,4-bis(phenylmethoxy)phenyl]butanoylamino]propanoate
CID 129246220
2-[3-[2,4-bis(phenylmethoxy)phenyl]butanoylamino]-4-methylpentanoic acid
CID 129246167
3-(3,5-dimethyl-4-phenylmethoxyphenyl)butanal
CID 117453947
3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal
CID 91202911
[2,4-bis(phenylmethoxy)phenyl]methyl formate
CID 87851163
(1R,2S,3R,4S)-1-[2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-2,3-dimethylbutane-1,4-diol
CID 166448543
2-[2,4-bis(phenylmethoxy)phenyl]-2-hydroxy-N,N-dimethylethanethioamide
CID 11122374
1-butan-2-yl-2-chloro-4-phenylmethoxybenzene
CID 123587275
3-hydroxy-3-(4-phenylmethoxyphenyl)propanal
CID 114795255
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(phenylmethoxy)phenyl]butanal?
The IUPAC name of 3-[2,4-bis(phenylmethoxy)phenyl]butanal (CID 138513595) is 3-[2,4-bis(phenylmethoxy)phenyl]butanal.
What is the SMILES notation for 3-[2,4-bis(phenylmethoxy)phenyl]butanal?
The canonical SMILES for 3-[2,4-bis(phenylmethoxy)phenyl]butanal is CC(CC=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 3-[2,4-bis(phenylmethoxy)phenyl]butanal?
The InChIKey is WPSJZLHAHILAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-19(14-15-25)23-13-12-22(26-17-20-8-4-2-5-9-20)16-24(23)27-18-21-10-6-3-7-11-21/h2-13,15-16,19H,14,17-18H2,1H3.
What are the key properties of 3-[2,4-bis(phenylmethoxy)phenyl]butanal?
3-[2,4-bis(phenylmethoxy)phenyl]butanal has a molecular weight of 360.45 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(phenylmethoxy)phenyl]butanal is sourced from PubChem (CID 138513595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).