1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene

C18H22O — CID 135062316

IUPAC1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2c(C)cccc2C(C)(C)C)cc1
InChIInChI=1S/C18H22O/c1-13-9-11-15(12-10-13)19-17-14(2)7-6-8-16(17)18(3,4)5/h6-12H,1-5H3
InChIKeyIDMUYESFOUISCV-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.39
Rot. Bonds2

About 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene

1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene (PubChem CID 135062316) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene
PubChem CID135062316
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2c(C)cccc2C(C)(C)C)cc1
InChIInChI=1S/C18H22O/c1-13-9-11-15(12-10-13)19-17-14(2)7-6-8-16(17)18(3,4)5/h6-12H,1-5H3
InChIKeyIDMUYESFOUISCV-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene?
The IUPAC name of 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene (CID 135062316) is 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene.
What is the SMILES notation for 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene?
The canonical SMILES for 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene is Cc1ccc(Oc2c(C)cccc2C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene?
The InChIKey is IDMUYESFOUISCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-13-9-11-15(12-10-13)19-17-14(2)7-6-8-16(17)18(3,4)5/h6-12H,1-5H3.
What are the key properties of 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene?
1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene has a molecular weight of 254.37 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methyl-2-(4-methylphenoxy)benzene is sourced from PubChem (CID 135062316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).