2-butyl-1,3-dimethoxy-5-methylbenzene

C13H20O2 — CID 524841

IUPAC2-butyl-1,3-dimethoxy-5-methylbenzene
SMILESCCCCc1c(OC)cc(C)cc1OC
InChIInChI=1S/C13H20O2/c1-5-6-7-11-12(14-3)8-10(2)9-13(11)15-4/h8-9H,5-7H2,1-4H3
InChIKeySRSJHOHVTWICQC-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.35
Rot. Bonds5

About 2-butyl-1,3-dimethoxy-5-methylbenzene

2-butyl-1,3-dimethoxy-5-methylbenzene (PubChem CID 524841) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-butyl-1,3-dimethoxy-5-methylbenzene.

Molecular Properties

Compound Name2-butyl-1,3-dimethoxy-5-methylbenzene
PubChem CID524841
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-butyl-1,3-dimethoxy-5-methylbenzene
SMILESCCCCc1c(OC)cc(C)cc1OC
InChIInChI=1S/C13H20O2/c1-5-6-7-11-12(14-3)8-10(2)9-13(11)15-4/h8-9H,5-7H2,1-4H3
InChIKeySRSJHOHVTWICQC-UHFFFAOYSA-N
XLogP3.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dimethoxy-5-methylbenzene?
The IUPAC name of 2-butyl-1,3-dimethoxy-5-methylbenzene (CID 524841) is 2-butyl-1,3-dimethoxy-5-methylbenzene.
What is the SMILES notation for 2-butyl-1,3-dimethoxy-5-methylbenzene?
The canonical SMILES for 2-butyl-1,3-dimethoxy-5-methylbenzene is CCCCc1c(OC)cc(C)cc1OC.
What is the InChIKey of 2-butyl-1,3-dimethoxy-5-methylbenzene?
The InChIKey is SRSJHOHVTWICQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-6-7-11-12(14-3)8-10(2)9-13(11)15-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-butyl-1,3-dimethoxy-5-methylbenzene?
2-butyl-1,3-dimethoxy-5-methylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dimethoxy-5-methylbenzene is sourced from PubChem (CID 524841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).