1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene

C15H20O — CID 71399756

IUPAC1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene
SMILESCOc1ccc(C2=C(C)CCC2(C)C)cc1
InChIInChI=1S/C15H20O/c1-11-9-10-15(2,3)14(11)12-5-7-13(16-4)8-6-12/h5-8H,9-10H2,1-4H3
InChIKeyNOMQKDAAJGTZBG-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.29
Rot. Bonds2

About 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene

1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene (PubChem CID 71399756) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene
PubChem CID71399756
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene
SMILESCOc1ccc(C2=C(C)CCC2(C)C)cc1
InChIInChI=1S/C15H20O/c1-11-9-10-15(2,3)14(11)12-5-7-13(16-4)8-6-12/h5-8H,9-10H2,1-4H3
InChIKeyNOMQKDAAJGTZBG-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene?
The IUPAC name of 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene (CID 71399756) is 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene.
What is the SMILES notation for 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene?
The canonical SMILES for 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene is COc1ccc(C2=C(C)CCC2(C)C)cc1.
What is the InChIKey of 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene?
The InChIKey is NOMQKDAAJGTZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-9-10-15(2,3)14(11)12-5-7-13(16-4)8-6-12/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene?
1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene has a molecular weight of 216.32 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2,5,5-trimethylcyclopenten-1-yl)benzene is sourced from PubChem (CID 71399756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).