1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene

C14H22O3 — CID 103184397

IUPAC1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
SMILESCOCCCOCCOc1ccc(C)cc1C
InChIInChI=1S/C14H22O3/c1-12-5-6-14(13(2)11-12)17-10-9-16-8-4-7-15-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyGVDKWIBOBPPFED-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.74
Rot. Bonds8

About 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene

1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene (PubChem CID 103184397) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
PubChem CID103184397
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
SMILESCOCCCOCCOc1ccc(C)cc1C
InChIInChI=1S/C14H22O3/c1-12-5-6-14(13(2)11-12)17-10-9-16-8-4-7-15-3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyGVDKWIBOBPPFED-UHFFFAOYSA-N
XLogP2.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene 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-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]boronic acid
CID 103180882
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
4-[2-(3-methoxypropoxy)ethoxy]-3-methylbenzenesulfonyl chloride
CID 103178206
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene (CID 103184397) is 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene is COCCCOCCOc1ccc(C)cc1C.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene?
The InChIKey is GVDKWIBOBPPFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-12-5-6-14(13(2)11-12)17-10-9-16-8-4-7-15-3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene?
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene has a molecular weight of 238.33 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene is sourced from PubChem (CID 103184397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).