1-tert-butyl-4-phenylmethoxybenzene

C17H20O — CID 11736600

IUPAC1-tert-butyl-4-phenylmethoxybenzene
SMILESCC(C)(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyQBMLBNAXJHSILE-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.56
Rot. Bonds3

About 1-tert-butyl-4-phenylmethoxybenzene

1-tert-butyl-4-phenylmethoxybenzene (PubChem CID 11736600) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-tert-butyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-phenylmethoxybenzene
PubChem CID11736600
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-tert-butyl-4-phenylmethoxybenzene
SMILESCC(C)(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H20O/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChIKeyQBMLBNAXJHSILE-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-phenylmethoxybenzene?
The IUPAC name of 1-tert-butyl-4-phenylmethoxybenzene (CID 11736600) is 1-tert-butyl-4-phenylmethoxybenzene.
What is the SMILES notation for 1-tert-butyl-4-phenylmethoxybenzene?
The canonical SMILES for 1-tert-butyl-4-phenylmethoxybenzene is CC(C)(C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-tert-butyl-4-phenylmethoxybenzene?
The InChIKey is QBMLBNAXJHSILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-17(2,3)15-9-11-16(12-10-15)18-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3.
What are the key properties of 1-tert-butyl-4-phenylmethoxybenzene?
1-tert-butyl-4-phenylmethoxybenzene has a molecular weight of 240.35 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-phenylmethoxybenzene is sourced from PubChem (CID 11736600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).