2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one

C14H12O3 — CID 142288165

IUPAC2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one
SMILESC=CC1=C(C=C)C(O)(O)c2ccccc2C1=O
InChIInChI=1S/C14H12O3/c1-3-9-11(4-2)14(16,17)12-8-6-5-7-10(12)13(9)15/h3-8,16-17H,1-2H2
InChIKeyIONNNLCLEKEJKU-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.69
Rot. Bonds2

About 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one

2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one (PubChem CID 142288165) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one
PubChem CID142288165
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one
SMILESC=CC1=C(C=C)C(O)(O)c2ccccc2C1=O
InChIInChI=1S/C14H12O3/c1-3-9-11(4-2)14(16,17)12-8-6-5-7-10(12)13(9)15/h3-8,16-17H,1-2H2
InChIKeyIONNNLCLEKEJKU-UHFFFAOYSA-N
XLogP1.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 123900265
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2,3-bis(ethenyl)-1,1-diethylindene
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2',3'-bis(ethenyl)-6'-phenylspiro[fluorene-9,1'-indene]
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CID 145204058
2-ethenyl-3-methyl-1,1-diphenylindene
CID 142104314
[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]-(7'-ethenyl-9,9'-spirobi[fluorene]-2'-yl)methanone
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11-ethenyl-11-hydroxy-5H-benzo[c][1]benzazepin-6-one
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CID 163299187

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one?
The IUPAC name of 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one (CID 142288165) is 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one.
What is the SMILES notation for 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one?
The canonical SMILES for 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one is C=CC1=C(C=C)C(O)(O)c2ccccc2C1=O.
What is the InChIKey of 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one?
The InChIKey is IONNNLCLEKEJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-3-9-11(4-2)14(16,17)12-8-6-5-7-10(12)13(9)15/h3-8,16-17H,1-2H2.
What are the key properties of 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one?
2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one has a molecular weight of 228.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4,4-dihydroxynaphthalen-1-one is sourced from PubChem (CID 142288165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).