1-tert-butyl-3-phenyl-2-benzofuran

C18H18O — CID 13213879

IUPAC1-tert-butyl-3-phenyl-2-benzofuran
SMILESCC(C)(C)c1oc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H18O/c1-18(2,3)17-15-12-8-7-11-14(15)16(19-17)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyZYGBJWUMOXAUBA-UHFFFAOYSA-N
MW250.34 g/mol
LogP5.40
Rot. Bonds1

About 1-tert-butyl-3-phenyl-2-benzofuran

1-tert-butyl-3-phenyl-2-benzofuran (PubChem CID 13213879) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-tert-butyl-3-phenyl-2-benzofuran.

Molecular Properties

Compound Name1-tert-butyl-3-phenyl-2-benzofuran
PubChem CID13213879
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-tert-butyl-3-phenyl-2-benzofuran
SMILESCC(C)(C)c1oc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H18O/c1-18(2,3)17-15-12-8-7-11-14(15)16(19-17)13-9-5-4-6-10-13/h4-12H,1-3H3
InChIKeyZYGBJWUMOXAUBA-UHFFFAOYSA-N
XLogP5.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.34
LogP ≤ 55.40
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-phenyl-2-benzofuran?
The IUPAC name of 1-tert-butyl-3-phenyl-2-benzofuran (CID 13213879) is 1-tert-butyl-3-phenyl-2-benzofuran.
What is the SMILES notation for 1-tert-butyl-3-phenyl-2-benzofuran?
The canonical SMILES for 1-tert-butyl-3-phenyl-2-benzofuran is CC(C)(C)c1oc(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-tert-butyl-3-phenyl-2-benzofuran?
The InChIKey is ZYGBJWUMOXAUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-18(2,3)17-15-12-8-7-11-14(15)16(19-17)13-9-5-4-6-10-13/h4-12H,1-3H3.
What are the key properties of 1-tert-butyl-3-phenyl-2-benzofuran?
1-tert-butyl-3-phenyl-2-benzofuran has a molecular weight of 250.34 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-phenyl-2-benzofuran is sourced from PubChem (CID 13213879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).