(E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one

C17H18O2 — CID 39356983

IUPAC(E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCC(C)(C)c1ccc(C(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C17H18O2/c1-17(2,3)14-8-6-13(7-9-14)16(18)11-10-15-5-4-12-19-15/h4-12H,1-3H3/b11-10+
InChIKeyHAVIMTMYFSHBCX-ZHACJKMWSA-N
MW254.33 g/mol
LogP4.47
Rot. Bonds3

About (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one

(E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 39356983) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID39356983
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCC(C)(C)c1ccc(C(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C17H18O2/c1-17(2,3)14-8-6-13(7-9-14)16(18)11-10-15-5-4-12-19-15/h4-12H,1-3H3/b11-10+
InChIKeyHAVIMTMYFSHBCX-ZHACJKMWSA-N
XLogP4.47
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one (CID 39356983) is (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one is CC(C)(C)c1ccc(C(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is HAVIMTMYFSHBCX-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,3)14-8-6-13(7-9-14)16(18)11-10-15-5-4-12-19-15/h4-12H,1-3H3/b11-10+.
What are the key properties of (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 254.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-tert-butylphenyl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 39356983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).