1-cyclopropyl-3,5-dimethoxybenzene

C11H14O2 — CID 58223392

IUPAC1-cyclopropyl-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C2CC2)c1
InChIInChI=1S/C11H14O2/c1-12-10-5-9(8-3-4-8)6-11(7-10)13-2/h5-8H,3-4H2,1-2H3
InChIKeyQVDGZUWWQSDVNH-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.58
Rot. Bonds3

About 1-cyclopropyl-3,5-dimethoxybenzene

1-cyclopropyl-3,5-dimethoxybenzene (PubChem CID 58223392) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-cyclopropyl-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-cyclopropyl-3,5-dimethoxybenzene
PubChem CID58223392
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-cyclopropyl-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C2CC2)c1
InChIInChI=1S/C11H14O2/c1-12-10-5-9(8-3-4-8)6-11(7-10)13-2/h5-8H,3-4H2,1-2H3
InChIKeyQVDGZUWWQSDVNH-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,5-dimethoxybenzene?
The IUPAC name of 1-cyclopropyl-3,5-dimethoxybenzene (CID 58223392) is 1-cyclopropyl-3,5-dimethoxybenzene.
What is the SMILES notation for 1-cyclopropyl-3,5-dimethoxybenzene?
The canonical SMILES for 1-cyclopropyl-3,5-dimethoxybenzene is COc1cc(OC)cc(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3,5-dimethoxybenzene?
The InChIKey is QVDGZUWWQSDVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-12-10-5-9(8-3-4-8)6-11(7-10)13-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-3,5-dimethoxybenzene?
1-cyclopropyl-3,5-dimethoxybenzene has a molecular weight of 178.23 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,5-dimethoxybenzene is sourced from PubChem (CID 58223392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).