1-propyl-4-(trimethoxymethyl)benzene

C13H20O3 — CID 123623052

IUPAC1-propyl-4-(trimethoxymethyl)benzene
SMILESCCCc1ccc(C(OC)(OC)OC)cc1
InChIInChI=1S/C13H20O3/c1-5-6-11-7-9-12(10-8-11)13(14-2,15-3)16-4/h7-10H,5-6H2,1-4H3
InChIKeyOHJXXTGXXNDJNA-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.69
Rot. Bonds6

About 1-propyl-4-(trimethoxymethyl)benzene

1-propyl-4-(trimethoxymethyl)benzene (PubChem CID 123623052) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-propyl-4-(trimethoxymethyl)benzene.

Molecular Properties

Compound Name1-propyl-4-(trimethoxymethyl)benzene
PubChem CID123623052
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1-propyl-4-(trimethoxymethyl)benzene
SMILESCCCc1ccc(C(OC)(OC)OC)cc1
InChIInChI=1S/C13H20O3/c1-5-6-11-7-9-12(10-8-11)13(14-2,15-3)16-4/h7-10H,5-6H2,1-4H3
InChIKeyOHJXXTGXXNDJNA-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.69
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-hexyl-4-(trimethoxymethyl)benzene
CID 15918565
1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
CID 71656112
1-butyl-4-(triethoxymethyl)benzene
CID 166447467
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
3-methyl-3-(4-propylphenyl)butan-2-one
CID 82282891
1-(4-ethylphenyl)-1-(4-propylphenyl)ethanamine
CID 63408118
1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene
CID 139623961
2-fluoro-2-(4-propylphenyl)propanal
CID 105448168
1-[[diphenyl-(4-propylphenyl)methyl]sulfanyl-diphenylmethyl]-4-propylbenzene
CID 54444176

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(trimethoxymethyl)benzene?
The IUPAC name of 1-propyl-4-(trimethoxymethyl)benzene (CID 123623052) is 1-propyl-4-(trimethoxymethyl)benzene.
What is the SMILES notation for 1-propyl-4-(trimethoxymethyl)benzene?
The canonical SMILES for 1-propyl-4-(trimethoxymethyl)benzene is CCCc1ccc(C(OC)(OC)OC)cc1.
What is the InChIKey of 1-propyl-4-(trimethoxymethyl)benzene?
The InChIKey is OHJXXTGXXNDJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-5-6-11-7-9-12(10-8-11)13(14-2,15-3)16-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-propyl-4-(trimethoxymethyl)benzene?
1-propyl-4-(trimethoxymethyl)benzene has a molecular weight of 224.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(trimethoxymethyl)benzene is sourced from PubChem (CID 123623052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).