2-ethoxy-1-methyl-4-propan-2-ylbenzene

C12H18O — CID 527268

IUPAC2-ethoxy-1-methyl-4-propan-2-ylbenzene
SMILESCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h6-9H,5H2,1-4H3
InChIKeyDOTAGKFIHPPPTK-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.52
Rot. Bonds3

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

2-ethoxy-1-methyl-4-propan-2-ylbenzene (PubChem CID 527268) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-ethoxy-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-ethoxy-1-methyl-4-propan-2-ylbenzene
PubChem CID527268
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-ethoxy-1-methyl-4-propan-2-ylbenzene
SMILESCCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h6-9H,5H2,1-4H3
InChIKeyDOTAGKFIHPPPTK-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-ethoxy-1-methyl-4-propan-2-ylbenzene (CID 527268) is 2-ethoxy-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-ethoxy-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-ethoxy-1-methyl-4-propan-2-ylbenzene is CCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-ethoxy-1-methyl-4-propan-2-ylbenzene?
The InChIKey is DOTAGKFIHPPPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-13-12-8-11(9(2)3)7-6-10(12)4/h6-9H,5H2,1-4H3.
What are the key properties of 2-ethoxy-1-methyl-4-propan-2-ylbenzene?
2-ethoxy-1-methyl-4-propan-2-ylbenzene has a molecular weight of 178.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 527268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).