1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one

C17H20O2 — CID 55180156

IUPAC1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C17H20O2/c1-12(18)11-15-9-10-16(19-15)13-5-7-14(8-6-13)17(2,3)4/h5-10H,11H2,1-4H3
InChIKeyZDHOEBXQELOQIZ-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.38
Rot. Bonds3

About 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one

1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one (PubChem CID 55180156) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one
PubChem CID55180156
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1
InChIInChI=1S/C17H20O2/c1-12(18)11-15-9-10-16(19-15)13-5-7-14(8-6-13)17(2,3)4/h5-10H,11H2,1-4H3
InChIKeyZDHOEBXQELOQIZ-UHFFFAOYSA-N
XLogP4.38
TPSA30.21 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 ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one?
The IUPAC name of 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one (CID 55180156) is 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one?
The canonical SMILES for 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one is CC(=O)Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1.
What is the InChIKey of 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one?
The InChIKey is ZDHOEBXQELOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(18)11-15-9-10-16(19-15)13-5-7-14(8-6-13)17(2,3)4/h5-10H,11H2,1-4H3.
What are the key properties of 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one?
1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one has a molecular weight of 256.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one is sourced from PubChem (CID 55180156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).