1-(3-methylbutoxy)ethylbenzene

C13H20O — CID 22179209

IUPAC1-(3-methylbutoxy)ethylbenzene
SMILESCC(C)CCOC(C)c1ccccc1
InChIInChI=1S/C13H20O/c1-11(2)9-10-14-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyIZFQCPDKIZRKSB-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.81
Rot. Bonds5

About 1-(3-methylbutoxy)ethylbenzene

1-(3-methylbutoxy)ethylbenzene (PubChem CID 22179209) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(3-methylbutoxy)ethylbenzene.

Molecular Properties

Compound Name1-(3-methylbutoxy)ethylbenzene
PubChem CID22179209
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(3-methylbutoxy)ethylbenzene
SMILESCC(C)CCOC(C)c1ccccc1
InChIInChI=1S/C13H20O/c1-11(2)9-10-14-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyIZFQCPDKIZRKSB-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxy)ethylbenzene?
The IUPAC name of 1-(3-methylbutoxy)ethylbenzene (CID 22179209) is 1-(3-methylbutoxy)ethylbenzene.
What is the SMILES notation for 1-(3-methylbutoxy)ethylbenzene?
The canonical SMILES for 1-(3-methylbutoxy)ethylbenzene is CC(C)CCOC(C)c1ccccc1.
What is the InChIKey of 1-(3-methylbutoxy)ethylbenzene?
The InChIKey is IZFQCPDKIZRKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11(2)9-10-14-12(3)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-(3-methylbutoxy)ethylbenzene?
1-(3-methylbutoxy)ethylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxy)ethylbenzene is sourced from PubChem (CID 22179209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).