2-methoxy-4-methyl-1-propan-2-ylbenzene

C11H16O — CID 14104

IUPAC2-methoxy-4-methyl-1-propan-2-ylbenzene
SMILESCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
InChIKeyLSQXNMXDFRRDSJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.13
Rot. Bonds2

About 2-methoxy-4-methyl-1-propan-2-ylbenzene

2-methoxy-4-methyl-1-propan-2-ylbenzene (PubChem CID 14104) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-methoxy-4-methyl-1-propan-2-ylbenzene
PubChem CID14104
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name2-methoxy-4-methyl-1-propan-2-ylbenzene
SMILESCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3
InChIKeyLSQXNMXDFRRDSJ-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-1-propan-2-ylbenzene?
The IUPAC name of 2-methoxy-4-methyl-1-propan-2-ylbenzene (CID 14104) is 2-methoxy-4-methyl-1-propan-2-ylbenzene.
What is the SMILES notation for 2-methoxy-4-methyl-1-propan-2-ylbenzene?
The canonical SMILES for 2-methoxy-4-methyl-1-propan-2-ylbenzene is COc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-methoxy-4-methyl-1-propan-2-ylbenzene?
The InChIKey is LSQXNMXDFRRDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3.
What are the key properties of 2-methoxy-4-methyl-1-propan-2-ylbenzene?
2-methoxy-4-methyl-1-propan-2-ylbenzene has a molecular weight of 164.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1-propan-2-ylbenzene is sourced from PubChem (CID 14104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).