4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene

C15H24O4 — CID 16637893

IUPAC4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene
SMILESCCOC(CCc1ccc(OC)c(OC)c1)OCC
InChIInChI=1S/C15H24O4/c1-5-18-15(19-6-2)10-8-12-7-9-13(16-3)14(11-12)17-4/h7,9,11,15H,5-6,8,10H2,1-4H3
InChIKeySPVJRXHUPYXGRX-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.04
Rot. Bonds9

About 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene

4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene (PubChem CID 16637893) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene
PubChem CID16637893
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene
SMILESCCOC(CCc1ccc(OC)c(OC)c1)OCC
InChIInChI=1S/C15H24O4/c1-5-18-15(19-6-2)10-8-12-7-9-13(16-3)14(11-12)17-4/h7,9,11,15H,5-6,8,10H2,1-4H3
InChIKeySPVJRXHUPYXGRX-UHFFFAOYSA-N
XLogP3.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorohexyl)-1,2-dimethoxybenzene
CID 64513550
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894
4-(3-bromohexyl)-1,2-dimethoxybenzene
CID 64506935
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
4-(3,4-dimethoxyphenyl)-1-methoxybutan-2-ol
CID 79422604
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716
4-(3-azidobutyl)-1,2-dimethoxybenzene
CID 10561738
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene?
The IUPAC name of 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene (CID 16637893) is 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene.
What is the SMILES notation for 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene?
The canonical SMILES for 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene is CCOC(CCc1ccc(OC)c(OC)c1)OCC.
What is the InChIKey of 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene?
The InChIKey is SPVJRXHUPYXGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-18-15(19-6-2)10-8-12-7-9-13(16-3)14(11-12)17-4/h7,9,11,15H,5-6,8,10H2,1-4H3.
What are the key properties of 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene?
4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene has a molecular weight of 268.35 g/mol, XLogP of 3.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethoxypropyl)-1,2-dimethoxybenzene is sourced from PubChem (CID 16637893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).