(2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone

C20H20O2 — CID 138971802

IUPAC(2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone
SMILESCC(C)(C)C1O/C(=C\C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20O2/c1-20(2,3)19-16-12-8-7-11-15(16)18(22-19)13-17(21)14-9-5-4-6-10-14/h4-13,19H,1-3H3/b18-13-
InChIKeyMGVBYPPMKBOZMF-AQTBWJFISA-N
MW292.38 g/mol
LogP5.03
Rot. Bonds2

About (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone

(2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone (PubChem CID 138971802) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone
PubChem CID138971802
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone
SMILESCC(C)(C)C1O/C(=C\C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C20H20O2/c1-20(2,3)19-16-12-8-7-11-15(16)18(22-19)13-17(21)14-9-5-4-6-10-14/h4-13,19H,1-3H3/b18-13-
InChIKeyMGVBYPPMKBOZMF-AQTBWJFISA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.03
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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Related Compounds

(2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone
CID 53384058
4-chloro-3-phenacylidene-2-benzofuran-1-one
CID 54013212
1-(4-methoxyphenyl)-2-(10-methyl-10H-anthracen-9-ylidene)ethanone
CID 59672036
3-(2-methyl-4-oxopentan-2-yl)-3H-2-benzofuran-1-one
CID 12662065
2-(10-methylacridin-9-ylidene)-1-phenylethanone
CID 3797236
(2Z)-2-[(3aS,7aR)-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-ylidene]-1-phenylethanone
CID 177437008
(Z)-1-(4-tert-butylphenyl)-3-hydroxy-3-phenylprop-2-en-1-one;methanol
CID 142102449
(3R)-3-[1,1-difluoro-2-(3-methylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 164667467
2,2-dimethylpropane;diphenylmethanone
CID 159191976
2-(3,5-dimethyl-2,6-diphenylpyran-4-ylidene)-1-phenylethanone
CID 14529383
N-methylmethanamine;2-oxo-2-phenylacetaldehyde
CID 174528822
(E)-4-hydroperoxy-4-methyl-1-phenylpent-2-en-1-one
CID 11424290

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone?
The IUPAC name of (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone (CID 138971802) is (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone.
What is the SMILES notation for (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone?
The canonical SMILES for (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone is CC(C)(C)C1O/C(=C\C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone?
The InChIKey is MGVBYPPMKBOZMF-AQTBWJFISA-N. The full InChI is InChI=1S/C20H20O2/c1-20(2,3)19-16-12-8-7-11-15(16)18(22-19)13-17(21)14-9-5-4-6-10-14/h4-13,19H,1-3H3/b18-13-.
What are the key properties of (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone?
(2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone has a molecular weight of 292.38 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone is sourced from PubChem (CID 138971802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).