(2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone

C20H18O3 — CID 23569993

IUPAC(2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone
SMILESCCOc1ccc2c(c1)O/C(=C\C(=O)c1ccccc1)C=C2C
InChIInChI=1S/C20H18O3/c1-3-22-16-9-10-18-14(2)11-17(23-20(18)13-16)12-19(21)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b17-12-
InChIKeyWUPINTVJGNGXEA-ATVHPVEESA-N
MW306.36 g/mol
LogP4.65
Rot. Bonds4

About (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone

(2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone (PubChem CID 23569993) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone
PubChem CID23569993
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone
SMILESCCOc1ccc2c(c1)O/C(=C\C(=O)c1ccccc1)C=C2C
InChIInChI=1S/C20H18O3/c1-3-22-16-9-10-18-14(2)11-17(23-20(18)13-16)12-19(21)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b17-12-
InChIKeyWUPINTVJGNGXEA-ATVHPVEESA-N
XLogP4.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethoxyphenyl)methylidene]-6-phenacyloxy-1-benzofuran-3-one
CID 4711133
[3-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] benzoate
CID 18835867
ethyl 2-[[2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 943301
2-[4-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,6-dimethylphenoxy]acetic acid
CID 148528229
ethyl 2-[[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 6316305
6-ethoxy-9,11,11-trimethyl-3-phenacylidene-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-2-one
CID 171152239
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
CID 53223705
[2-[(Z)-(6-ethoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 18835991
benzamide;1,4-diethoxybenzene
CID 162120306
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
(E)-3-(2-benzoylanilino)-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 46858582

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone?
The IUPAC name of (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone (CID 23569993) is (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone.
What is the SMILES notation for (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone?
The canonical SMILES for (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone is CCOc1ccc2c(c1)O/C(=C\C(=O)c1ccccc1)C=C2C.
What is the InChIKey of (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone?
The InChIKey is WUPINTVJGNGXEA-ATVHPVEESA-N. The full InChI is InChI=1S/C20H18O3/c1-3-22-16-9-10-18-14(2)11-17(23-20(18)13-16)12-19(21)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3/b17-12-.
What are the key properties of (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone?
(2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone has a molecular weight of 306.36 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone is sourced from PubChem (CID 23569993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).