1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene

C17H20O — CID 10944547

IUPAC1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene
SMILESCc1ccc(C)c(Oc2ccccc2C(C)C)c1
InChIInChI=1S/C17H20O/c1-12(2)15-7-5-6-8-16(15)18-17-11-13(3)9-10-14(17)4/h5-12H,1-4H3
InChIKeySOTIYGGTAUSZLY-UHFFFAOYSA-N
MW240.35 g/mol
LogP5.22
Rot. Bonds3

About 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene

1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene (PubChem CID 10944547) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene
PubChem CID10944547
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene
SMILESCc1ccc(C)c(Oc2ccccc2C(C)C)c1
InChIInChI=1S/C17H20O/c1-12(2)15-7-5-6-8-16(15)18-17-11-13(3)9-10-14(17)4/h5-12H,1-4H3
InChIKeySOTIYGGTAUSZLY-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.35
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene?
The IUPAC name of 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene (CID 10944547) is 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene is Cc1ccc(C)c(Oc2ccccc2C(C)C)c1.
What is the InChIKey of 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene?
The InChIKey is SOTIYGGTAUSZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-12(2)15-7-5-6-8-16(15)18-17-11-13(3)9-10-14(17)4/h5-12H,1-4H3.
What are the key properties of 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene?
1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene has a molecular weight of 240.35 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 10944547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).