1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene

C15H22O — CID 11252954

IUPAC1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene
SMILESCOc1ccc(C2(C)CCCC2(C)C)cc1
InChIInChI=1S/C15H22O/c1-14(2)10-5-11-15(14,3)12-6-8-13(16-4)9-7-12/h6-9H,5,10-11H2,1-4H3
InChIKeyYLRGJQAILGTUJP-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.16
Rot. Bonds2

About 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene

1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene (PubChem CID 11252954) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene
PubChem CID11252954
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene
SMILESCOc1ccc(C2(C)CCCC2(C)C)cc1
InChIInChI=1S/C15H22O/c1-14(2)10-5-11-15(14,3)12-6-8-13(16-4)9-7-12/h6-9H,5,10-11H2,1-4H3
InChIKeyYLRGJQAILGTUJP-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene?
The IUPAC name of 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene (CID 11252954) is 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene.
What is the SMILES notation for 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene?
The canonical SMILES for 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene is COc1ccc(C2(C)CCCC2(C)C)cc1.
What is the InChIKey of 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene?
The InChIKey is YLRGJQAILGTUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-14(2)10-5-11-15(14,3)12-6-8-13(16-4)9-7-12/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene?
1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene has a molecular weight of 218.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene is sourced from PubChem (CID 11252954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).