7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one

C19H16O3 — CID 122223923

IUPAC7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one
SMILESCCOc1ccc2cc(/C=C/c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C19H16O3/c1-2-21-17-11-10-15-12-16(19(20)22-18(15)13-17)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+
InChIKeyNUDFFKUCYSARHH-CMDGGOBGSA-N
MW292.33 g/mol
LogP4.36
Rot. Bonds4

About 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one

7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one (PubChem CID 122223923) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one.

Molecular Properties

Compound Name7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one
PubChem CID122223923
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one
SMILESCCOc1ccc2cc(/C=C/c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C19H16O3/c1-2-21-17-11-10-15-12-16(19(20)22-18(15)13-17)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+
InChIKeyNUDFFKUCYSARHH-CMDGGOBGSA-N
XLogP4.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]-7-methoxychromen-2-one
CID 102200353
3-phenyl-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062832
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
7-ethoxy-3-(4-methoxyphenyl)-4-phenylchromen-2-one
CID 5038923
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 19185487
3-(4-chlorophenyl)-7-[(E)-3-phenylprop-2-enoxy]chromen-2-one
CID 2062762
2-ethoxynaphthalene
CID 118978197
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
[3-(ethylcarbamoyl)-2-oxochromen-7-yl] (E)-3-phenylprop-2-enoate
CID 19187547
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one?
The IUPAC name of 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one (CID 122223923) is 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one.
What is the SMILES notation for 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one?
The canonical SMILES for 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one is CCOc1ccc2cc(/C=C/c3ccccc3)c(=O)oc2c1.
What is the InChIKey of 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one?
The InChIKey is NUDFFKUCYSARHH-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H16O3/c1-2-21-17-11-10-15-12-16(19(20)22-18(15)13-17)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+.
What are the key properties of 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one?
7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one has a molecular weight of 292.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-[(E)-2-phenylethenyl]chromen-2-one is sourced from PubChem (CID 122223923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).