1-(1,1-diethoxypropyl)-4-methoxybenzene

C14H22O3 — CID 56637922

IUPAC1-(1,1-diethoxypropyl)-4-methoxybenzene
SMILESCCOC(CC)(OCC)c1ccc(OC)cc1
InChIInChI=1S/C14H22O3/c1-5-14(16-6-2,17-7-3)12-8-10-13(15-4)11-9-12/h8-11H,5-7H2,1-4H3
InChIKeyYXVNTRAZGISPNB-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.33
Rot. Bonds7

About 1-(1,1-diethoxypropyl)-4-methoxybenzene

1-(1,1-diethoxypropyl)-4-methoxybenzene (PubChem CID 56637922) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1,1-diethoxypropyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(1,1-diethoxypropyl)-4-methoxybenzene
PubChem CID56637922
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(1,1-diethoxypropyl)-4-methoxybenzene
SMILESCCOC(CC)(OCC)c1ccc(OC)cc1
InChIInChI=1S/C14H22O3/c1-5-14(16-6-2,17-7-3)12-8-10-13(15-4)11-9-12/h8-11H,5-7H2,1-4H3
InChIKeyYXVNTRAZGISPNB-UHFFFAOYSA-N
XLogP3.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(difluoro)methyl]-4-methoxybenzene
CID 102488284
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
3,3-dimethoxy-3-(4-methoxyphenyl)propan-1-amine
CID 94684681
1-[diethoxyphosphoryl(difluoro)methyl]-4-methoxybenzene
CID 15272442
2-ethoxy-2-ethyl-1-(4-methoxyphenyl)butan-1-one
CID 116747186
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
CID 62596783
1-(2,2-dimethylbutoxy)-4-methoxybenzene
CID 70980088
ethyl 2-amino-2-(4-methoxyphenyl)butanoate
CID 5027941
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
CID 22900338

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diethoxypropyl)-4-methoxybenzene?
The IUPAC name of 1-(1,1-diethoxypropyl)-4-methoxybenzene (CID 56637922) is 1-(1,1-diethoxypropyl)-4-methoxybenzene.
What is the SMILES notation for 1-(1,1-diethoxypropyl)-4-methoxybenzene?
The canonical SMILES for 1-(1,1-diethoxypropyl)-4-methoxybenzene is CCOC(CC)(OCC)c1ccc(OC)cc1.
What is the InChIKey of 1-(1,1-diethoxypropyl)-4-methoxybenzene?
The InChIKey is YXVNTRAZGISPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-5-14(16-6-2,17-7-3)12-8-10-13(15-4)11-9-12/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-(1,1-diethoxypropyl)-4-methoxybenzene?
1-(1,1-diethoxypropyl)-4-methoxybenzene has a molecular weight of 238.33 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diethoxypropyl)-4-methoxybenzene is sourced from PubChem (CID 56637922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).