1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene

C16H24O — CID 178142044

IUPAC1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(OC2CCC(C)C2)cc1
InChIInChI=1S/C16H24O/c1-12(2)10-14-5-8-15(9-6-14)17-16-7-4-13(3)11-16/h5-6,8-9,12-13,16H,4,7,10-11H2,1-3H3
InChIKeyHSNDRUZVNBKEFJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.45
Rot. Bonds4

About 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene

1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene (PubChem CID 178142044) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene
PubChem CID178142044
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(OC2CCC(C)C2)cc1
InChIInChI=1S/C16H24O/c1-12(2)10-14-5-8-15(9-6-14)17-16-7-4-13(3)11-16/h5-6,8-9,12-13,16H,4,7,10-11H2,1-3H3
InChIKeyHSNDRUZVNBKEFJ-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene?
The IUPAC name of 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene (CID 178142044) is 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(OC2CCC(C)C2)cc1.
What is the InChIKey of 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene?
The InChIKey is HSNDRUZVNBKEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)10-14-5-8-15(9-6-14)17-16-7-4-13(3)11-16/h5-6,8-9,12-13,16H,4,7,10-11H2,1-3H3.
What are the key properties of 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene?
1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene has a molecular weight of 232.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)oxy-4-(2-methylpropyl)benzene is sourced from PubChem (CID 178142044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).