1,2-dimethyl-4-(2-methylpropoxy)benzene

C12H18O — CID 20812254

IUPAC1,2-dimethyl-4-(2-methylpropoxy)benzene
SMILESCc1ccc(OCC(C)C)cc1C
InChIInChI=1S/C12H18O/c1-9(2)8-13-12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3
InChIKeyBLAYGZMOCSKPGB-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.34
Rot. Bonds3

About 1,2-dimethyl-4-(2-methylpropoxy)benzene

1,2-dimethyl-4-(2-methylpropoxy)benzene (PubChem CID 20812254) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1,2-dimethyl-4-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(2-methylpropoxy)benzene
PubChem CID20812254
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1,2-dimethyl-4-(2-methylpropoxy)benzene
SMILESCc1ccc(OCC(C)C)cc1C
InChIInChI=1S/C12H18O/c1-9(2)8-13-12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3
InChIKeyBLAYGZMOCSKPGB-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(2-methylpropoxy)benzene?
The IUPAC name of 1,2-dimethyl-4-(2-methylpropoxy)benzene (CID 20812254) is 1,2-dimethyl-4-(2-methylpropoxy)benzene.
What is the SMILES notation for 1,2-dimethyl-4-(2-methylpropoxy)benzene?
The canonical SMILES for 1,2-dimethyl-4-(2-methylpropoxy)benzene is Cc1ccc(OCC(C)C)cc1C.
What is the InChIKey of 1,2-dimethyl-4-(2-methylpropoxy)benzene?
The InChIKey is BLAYGZMOCSKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9(2)8-13-12-6-5-10(3)11(4)7-12/h5-7,9H,8H2,1-4H3.
What are the key properties of 1,2-dimethyl-4-(2-methylpropoxy)benzene?
1,2-dimethyl-4-(2-methylpropoxy)benzene has a molecular weight of 178.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(2-methylpropoxy)benzene is sourced from PubChem (CID 20812254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).