1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene

C20H26O3 — CID 67327609

IUPAC1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene
SMILESCCOC(OCC)c1ccc(CCCOc2ccccc2)cc1
InChIInChI=1S/C20H26O3/c1-3-21-20(22-4-2)18-14-12-17(13-15-18)9-8-16-23-19-10-6-5-7-11-19/h5-7,10-15,20H,3-4,8-9,16H2,1-2H3
InChIKeyKFKNUDZCDHSJNO-UHFFFAOYSA-N
MW314.42 g/mol
LogP4.77
Rot. Bonds10

About 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene

1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene (PubChem CID 67327609) has the molecular formula C20H26O3 and a molecular weight of 314.42 g/mol. Its IUPAC name is 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene.

Molecular Properties

Compound Name1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene
PubChem CID67327609
Molecular FormulaC20H26O3
Molecular Weight314.42 g/mol
Exact Mass314.19
IUPAC Name1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene
SMILESCCOC(OCC)c1ccc(CCCOc2ccccc2)cc1
InChIInChI=1S/C20H26O3/c1-3-21-20(22-4-2)18-14-12-17(13-15-18)9-8-16-23-19-10-6-5-7-11-19/h5-7,10-15,20H,3-4,8-9,16H2,1-2H3
InChIKeyKFKNUDZCDHSJNO-UHFFFAOYSA-N
XLogP4.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene 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

1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
CID 125466229
1-[bis(2-phenoxyethoxy)methyl]-4-chlorobenzene
CID 71345800
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene?
The IUPAC name of 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene (CID 67327609) is 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene.
What is the SMILES notation for 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene?
The canonical SMILES for 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene is CCOC(OCC)c1ccc(CCCOc2ccccc2)cc1.
What is the InChIKey of 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene?
The InChIKey is KFKNUDZCDHSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-3-21-20(22-4-2)18-14-12-17(13-15-18)9-8-16-23-19-10-6-5-7-11-19/h5-7,10-15,20H,3-4,8-9,16H2,1-2H3.
What are the key properties of 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene?
1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene has a molecular weight of 314.42 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxymethyl)-4-(3-phenoxypropyl)benzene is sourced from PubChem (CID 67327609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).