1-tert-butyl-4-methoxy-2-phenoxybenzene

C17H20O2 — CID 143202933

IUPAC1-tert-butyl-4-methoxy-2-phenoxybenzene
SMILESCOc1ccc(C(C)(C)C)c(Oc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-17(2,3)15-11-10-14(18-4)12-16(15)19-13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKeyMXQHCHCTSDEWEM-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.78
Rot. Bonds3

About 1-tert-butyl-4-methoxy-2-phenoxybenzene

1-tert-butyl-4-methoxy-2-phenoxybenzene (PubChem CID 143202933) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-tert-butyl-4-methoxy-2-phenoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-4-methoxy-2-phenoxybenzene
PubChem CID143202933
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-tert-butyl-4-methoxy-2-phenoxybenzene
SMILESCOc1ccc(C(C)(C)C)c(Oc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-17(2,3)15-11-10-14(18-4)12-16(15)19-13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKeyMXQHCHCTSDEWEM-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methoxy-2-phenoxybenzene?
The IUPAC name of 1-tert-butyl-4-methoxy-2-phenoxybenzene (CID 143202933) is 1-tert-butyl-4-methoxy-2-phenoxybenzene.
What is the SMILES notation for 1-tert-butyl-4-methoxy-2-phenoxybenzene?
The canonical SMILES for 1-tert-butyl-4-methoxy-2-phenoxybenzene is COc1ccc(C(C)(C)C)c(Oc2ccccc2)c1.
What is the InChIKey of 1-tert-butyl-4-methoxy-2-phenoxybenzene?
The InChIKey is MXQHCHCTSDEWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-17(2,3)15-11-10-14(18-4)12-16(15)19-13-8-6-5-7-9-13/h5-12H,1-4H3.
What are the key properties of 1-tert-butyl-4-methoxy-2-phenoxybenzene?
1-tert-butyl-4-methoxy-2-phenoxybenzene has a molecular weight of 256.34 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methoxy-2-phenoxybenzene is sourced from PubChem (CID 143202933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).