1-ethyl-4-(3-methoxypropoxymethyl)benzene

C13H20O2 — CID 160710352

IUPAC1-ethyl-4-(3-methoxypropoxymethyl)benzene
SMILESCCc1ccc(COCCCOC)cc1
InChIInChI=1S/C13H20O2/c1-3-12-5-7-13(8-6-12)11-15-10-4-9-14-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyRRTVELAKSYFKHO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.80
Rot. Bonds7

About 1-ethyl-4-(3-methoxypropoxymethyl)benzene

1-ethyl-4-(3-methoxypropoxymethyl)benzene (PubChem CID 160710352) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethyl-4-(3-methoxypropoxymethyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(3-methoxypropoxymethyl)benzene
PubChem CID160710352
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-ethyl-4-(3-methoxypropoxymethyl)benzene
SMILESCCc1ccc(COCCCOC)cc1
InChIInChI=1S/C13H20O2/c1-3-12-5-7-13(8-6-12)11-15-10-4-9-14-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyRRTVELAKSYFKHO-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177611
N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62441668
1-ethyl-4-(4-methoxybutyl)benzene
CID 143010325
1-(4-methoxybutoxymethyl)-4-(trifluoromethyl)benzene
CID 162563157
2-[4-[3-(2-methoxyethoxy)propoxymethyl]phenyl]ethanamine
CID 103406557
4-(3-ethoxypropoxymethyl)aniline
CID 65176442
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
1-bromo-4-[3-[(4-bromophenyl)methoxy]propoxymethyl]benzene
CID 101050292
4-[3-(2-methoxyethoxy)propoxymethyl]benzenecarbothioamide
CID 103402599
3-methoxypropyl 4-ethylbenzenesulfonate
CID 139894241
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine
CID 62193134

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methoxypropoxymethyl)benzene?
The IUPAC name of 1-ethyl-4-(3-methoxypropoxymethyl)benzene (CID 160710352) is 1-ethyl-4-(3-methoxypropoxymethyl)benzene.
What is the SMILES notation for 1-ethyl-4-(3-methoxypropoxymethyl)benzene?
The canonical SMILES for 1-ethyl-4-(3-methoxypropoxymethyl)benzene is CCc1ccc(COCCCOC)cc1.
What is the InChIKey of 1-ethyl-4-(3-methoxypropoxymethyl)benzene?
The InChIKey is RRTVELAKSYFKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-12-5-7-13(8-6-12)11-15-10-4-9-14-2/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-methoxypropoxymethyl)benzene?
1-ethyl-4-(3-methoxypropoxymethyl)benzene has a molecular weight of 208.30 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methoxypropoxymethyl)benzene is sourced from PubChem (CID 160710352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).