1,3-dimethoxy-5-propylbenzene

C11H16O2 — CID 524887

IUPAC1,3-dimethoxy-5-propylbenzene
SMILESCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C11H16O2/c1-4-5-9-6-10(12-2)8-11(7-9)13-3/h6-8H,4-5H2,1-3H3
InChIKeyUHLXFCGEIFTPSB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.66
Rot. Bonds4

About 1,3-dimethoxy-5-propylbenzene

1,3-dimethoxy-5-propylbenzene (PubChem CID 524887) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1,3-dimethoxy-5-propylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-propylbenzene
PubChem CID524887
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1,3-dimethoxy-5-propylbenzene
SMILESCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C11H16O2/c1-4-5-9-6-10(12-2)8-11(7-9)13-3/h6-8H,4-5H2,1-3H3
InChIKeyUHLXFCGEIFTPSB-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-propylbenzene?
The IUPAC name of 1,3-dimethoxy-5-propylbenzene (CID 524887) is 1,3-dimethoxy-5-propylbenzene.
What is the SMILES notation for 1,3-dimethoxy-5-propylbenzene?
The canonical SMILES for 1,3-dimethoxy-5-propylbenzene is CCCc1cc(OC)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-propylbenzene?
The InChIKey is UHLXFCGEIFTPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-5-9-6-10(12-2)8-11(7-9)13-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethoxy-5-propylbenzene?
1,3-dimethoxy-5-propylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-propylbenzene is sourced from PubChem (CID 524887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).