1-methyl-4-(2-methylpentan-2-yloxy)benzene

C13H20O — CID 163980020

IUPAC1-methyl-4-(2-methylpentan-2-yloxy)benzene
SMILESCCCC(C)(C)Oc1ccc(C)cc1
InChIInChI=1S/C13H20O/c1-5-10-13(3,4)14-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeySXOFJRZFUPSXAX-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.95
Rot. Bonds4

About 1-methyl-4-(2-methylpentan-2-yloxy)benzene

1-methyl-4-(2-methylpentan-2-yloxy)benzene (PubChem CID 163980020) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-methyl-4-(2-methylpentan-2-yloxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-methylpentan-2-yloxy)benzene
PubChem CID163980020
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-methyl-4-(2-methylpentan-2-yloxy)benzene
SMILESCCCC(C)(C)Oc1ccc(C)cc1
InChIInChI=1S/C13H20O/c1-5-10-13(3,4)14-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeySXOFJRZFUPSXAX-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylpentan-2-yloxy)benzene?
The IUPAC name of 1-methyl-4-(2-methylpentan-2-yloxy)benzene (CID 163980020) is 1-methyl-4-(2-methylpentan-2-yloxy)benzene.
What is the SMILES notation for 1-methyl-4-(2-methylpentan-2-yloxy)benzene?
The canonical SMILES for 1-methyl-4-(2-methylpentan-2-yloxy)benzene is CCCC(C)(C)Oc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(2-methylpentan-2-yloxy)benzene?
The InChIKey is SXOFJRZFUPSXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-10-13(3,4)14-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-methyl-4-(2-methylpentan-2-yloxy)benzene?
1-methyl-4-(2-methylpentan-2-yloxy)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylpentan-2-yloxy)benzene is sourced from PubChem (CID 163980020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).