1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one

C40H32O2 — CID 174952224

IUPAC1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
SMILESC=CCOc1ccccc1C=C.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H20O.C11H12O/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;1-3-9-12-11-8-6-5-7-10(11)4-2/h1-20H;3-8H,1-2,9H2
InChIKeyGDHSXKNVGXMIHM-UHFFFAOYSA-N
MW544.69 g/mol
LogP9.69
Rot. Bonds8

About 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one

1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one (PubChem CID 174952224) has the molecular formula C40H32O2 and a molecular weight of 544.69 g/mol. Its IUPAC name is 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
PubChem CID174952224
Molecular FormulaC40H32O2
Molecular Weight544.69 g/mol
Exact Mass544.24
IUPAC Name1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
SMILESC=CCOc1ccccc1C=C.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C29H20O.C11H12O/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;1-3-9-12-11-8-6-5-7-10(11)4-2/h1-20H;3-8H,1-2,9H2
InChIKeyGDHSXKNVGXMIHM-UHFFFAOYSA-N
XLogP9.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.69
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;1-ethenyl-2-methoxybenzene
CID 158702776
2-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4232998
(Z)-2-phenyl-3-(2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43352799
5-methyl-2-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]pyrazol-3-one
CID 2869483
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
2-(2-ethenylphenoxy)ethyl hydrogen sulfate
CID 156674552
1-(3-phenylpropa-1,2-dienyl)-2-prop-2-enoxybenzene
CID 71560134
ethane;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 91380826
1-phenyl-4-[(2-prop-2-enoxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 5096115
CID 19763871
CID 19763871
3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one (CID 174952224) is 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one is C=CCOc1ccccc1C=C.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one?
The InChIKey is GDHSXKNVGXMIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O.C11H12O/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;1-3-9-12-11-8-6-5-7-10(11)4-2/h1-20H;3-8H,1-2,9H2.
What are the key properties of 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one?
1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one has a molecular weight of 544.69 g/mol, XLogP of 9.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 174952224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).