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

C16H12O2 — CID 53384058

IUPAC(2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone
SMILESO=C(/C=C1\OCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H12O2/c17-15(12-6-2-1-3-7-12)10-16-14-9-5-4-8-13(14)11-18-16/h1-10H,11H2/b16-10-
InChIKeyWWPOXRDUIFCTJB-YBEGLDIGSA-N
MW236.27 g/mol
LogP3.44
Rot. Bonds2

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

(2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone (PubChem CID 53384058) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone
PubChem CID53384058
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name(2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone
SMILESO=C(/C=C1\OCc2ccccc21)c1ccccc1
InChIInChI=1S/C16H12O2/c17-15(12-6-2-1-3-7-12)10-16-14-9-5-4-8-13(14)11-18-16/h1-10H,11H2/b16-10-
InChIKeyWWPOXRDUIFCTJB-YBEGLDIGSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.44
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

3H-2-benzofuran-1-one;benzoic acid;ethane
CID 161259561
(3Z)-3-[(2-nitrophenyl)methylidene]-1H-2-benzofuran
CID 15194332
4-chloro-3-phenacylidene-2-benzofuran-1-one
CID 54013212
methyl (2Z)-2-(3H-2-benzofuran-1-ylidene)-2-phenylacetate
CID 23248857
(2Z)-2-(1H-isochromen-4-ylidene)acetic acid
CID 134230447
(2Z)-2-(3-tert-butyl-3H-2-benzofuran-1-ylidene)-1-phenylethanone
CID 138971802
CID 138984815
CID 138984815
3H-2-benzofuran-1-one;phenoxybenzene
CID 19981145
(11E)-11-(1-cyanoethylidene)-6H-benzo[c][1]benzoxepine-3-carboxylic acid
CID 69017637
11-(1-cyanoethylidene)-6H-benzo[c][1]benzoxepine-3-carboxylic acid
CID 69017640
1-(4-methylphenyl)prop-2-en-1-one;7-oxabicyclo[4.2.0]octa-1,3,5-triene
CID 174386394
(2E)-2-phenacylidene-1H-indol-3-one
CID 82254422

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone?
The IUPAC name of (2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone (CID 53384058) is (2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone.
What is the SMILES notation for (2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone?
The canonical SMILES for (2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone is O=C(/C=C1\OCc2ccccc21)c1ccccc1.
What is the InChIKey of (2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone?
The InChIKey is WWPOXRDUIFCTJB-YBEGLDIGSA-N. The full InChI is InChI=1S/C16H12O2/c17-15(12-6-2-1-3-7-12)10-16-14-9-5-4-8-13(14)11-18-16/h1-10H,11H2/b16-10-.
What are the key properties of (2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone?
(2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone has a molecular weight of 236.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3H-2-benzofuran-1-ylidene)-1-phenylethanone is sourced from PubChem (CID 53384058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).