1,3,3-triethoxypropylbenzene

C15H24O3 — CID 3754405

IUPAC1,3,3-triethoxypropylbenzene
SMILESCCOC(CC(OCC)c1ccccc1)OCC
InChIInChI=1S/C15H24O3/c1-4-16-14(13-10-8-7-9-11-13)12-15(17-5-2)18-6-3/h7-11,14-15H,4-6,12H2,1-3H3
InChIKeyVTQQBAYGEWEYQX-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.55
Rot. Bonds9

About 1,3,3-triethoxypropylbenzene

1,3,3-triethoxypropylbenzene (PubChem CID 3754405) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1,3,3-triethoxypropylbenzene.

Molecular Properties

Compound Name1,3,3-triethoxypropylbenzene
PubChem CID3754405
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1,3,3-triethoxypropylbenzene
SMILESCCOC(CC(OCC)c1ccccc1)OCC
InChIInChI=1S/C15H24O3/c1-4-16-14(13-10-8-7-9-11-13)12-15(17-5-2)18-6-3/h7-11,14-15H,4-6,12H2,1-3H3
InChIKeyVTQQBAYGEWEYQX-UHFFFAOYSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3,3-triethoxypropylbenzene 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

[(1R,3R)-1-bromo-3-ethoxy-3-phenylpropyl]benzene
CID 23248017
(2R)-2-ethoxy-2-phenylethanol
CID 10654619
2-ethoxy-2-phenylethanethiol
CID 151400804
4,4-diethoxy-2-phenylbutanenitrile
CID 13486179
1-ethoxydecylbenzene
CID 71423896
1-(3-bromo-1-ethoxy-3-phenylpropyl)-4-methoxybenzene
CID 71384437
1-ethoxy-1-phenylpentan-3-one
CID 3736570
6-(3-butoxy-3-ethoxy-1-phenylpropoxy)-6-oxohexanoic acid
CID 118321626
4-[(1S,3S)-3-ethoxy-1,3-diphenylpropyl]morpholine
CID 39844404
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
N-(2,2-diethoxyethyl)-2,2-diphenylethanamine
CID 70269046
(1R)-4,4-diethoxy-1-phenylbutan-1-ol
CID 102265483

Frequently Asked Questions

What is the IUPAC name of 1,3,3-triethoxypropylbenzene?
The IUPAC name of 1,3,3-triethoxypropylbenzene (CID 3754405) is 1,3,3-triethoxypropylbenzene.
What is the SMILES notation for 1,3,3-triethoxypropylbenzene?
The canonical SMILES for 1,3,3-triethoxypropylbenzene is CCOC(CC(OCC)c1ccccc1)OCC.
What is the InChIKey of 1,3,3-triethoxypropylbenzene?
The InChIKey is VTQQBAYGEWEYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-16-14(13-10-8-7-9-11-13)12-15(17-5-2)18-6-3/h7-11,14-15H,4-6,12H2,1-3H3.
What are the key properties of 1,3,3-triethoxypropylbenzene?
1,3,3-triethoxypropylbenzene has a molecular weight of 252.35 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-triethoxypropylbenzene is sourced from PubChem (CID 3754405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).