(4-tert-butylphenyl)-(furan-2-yl)methanone

C15H16O2 — CID 12536587

IUPAC(4-tert-butylphenyl)-(furan-2-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccco2)cc1
InChIInChI=1S/C15H16O2/c1-15(2,3)12-8-6-11(7-9-12)14(16)13-5-4-10-17-13/h4-10H,1-3H3
InChIKeyGTOFMVZAESXCNU-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.81
Rot. Bonds2

About (4-tert-butylphenyl)-(furan-2-yl)methanone

(4-tert-butylphenyl)-(furan-2-yl)methanone (PubChem CID 12536587) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(furan-2-yl)methanone
PubChem CID12536587
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(4-tert-butylphenyl)-(furan-2-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccco2)cc1
InChIInChI=1S/C15H16O2/c1-15(2,3)12-8-6-11(7-9-12)14(16)13-5-4-10-17-13/h4-10H,1-3H3
InChIKeyGTOFMVZAESXCNU-UHFFFAOYSA-N
XLogP3.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(furan-2-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(furan-2-yl)methanone (CID 12536587) is (4-tert-butylphenyl)-(furan-2-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(furan-2-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(furan-2-yl)methanone is CC(C)(C)c1ccc(C(=O)c2ccco2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(furan-2-yl)methanone?
The InChIKey is GTOFMVZAESXCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-15(2,3)12-8-6-11(7-9-12)14(16)13-5-4-10-17-13/h4-10H,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(furan-2-yl)methanone?
(4-tert-butylphenyl)-(furan-2-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(furan-2-yl)methanone is sourced from PubChem (CID 12536587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).