1-(cyclopenten-1-yl)-3,5-dimethoxybenzene

C13H16O2 — CID 13172785

IUPAC1-(cyclopenten-1-yl)-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C2=CCCC2)c1
InChIInChI=1S/C13H16O2/c1-14-12-7-11(8-13(9-12)15-2)10-5-3-4-6-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyODFOSWCGOSQYBC-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.27
Rot. Bonds3

About 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene

1-(cyclopenten-1-yl)-3,5-dimethoxybenzene (PubChem CID 13172785) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-3,5-dimethoxybenzene
PubChem CID13172785
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-(cyclopenten-1-yl)-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C2=CCCC2)c1
InChIInChI=1S/C13H16O2/c1-14-12-7-11(8-13(9-12)15-2)10-5-3-4-6-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyODFOSWCGOSQYBC-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene?
The IUPAC name of 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene (CID 13172785) is 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene.
What is the SMILES notation for 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene?
The canonical SMILES for 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene is COc1cc(OC)cc(C2=CCCC2)c1.
What is the InChIKey of 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene?
The InChIKey is ODFOSWCGOSQYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-14-12-7-11(8-13(9-12)15-2)10-5-3-4-6-10/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene?
1-(cyclopenten-1-yl)-3,5-dimethoxybenzene has a molecular weight of 204.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-3,5-dimethoxybenzene is sourced from PubChem (CID 13172785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).