2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione

C18H14O3 — CID 10356191

IUPAC2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione
SMILESC=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C18H14O3/c1-12(13-7-3-2-4-8-13)11-18(21)16(19)14-9-5-6-10-15(14)17(18)20/h2-10,21H,1,11H2
InChIKeyAUDXUPLXJISPEW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.90
Rot. Bonds3

About 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione

2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione (PubChem CID 10356191) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione
PubChem CID10356191
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione
SMILESC=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C18H14O3/c1-12(13-7-3-2-4-8-13)11-18(21)16(19)14-9-5-6-10-15(14)17(18)20/h2-10,21H,1,11H2
InChIKeyAUDXUPLXJISPEW-UHFFFAOYSA-N
XLogP2.90
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

10-hydroxy-10-[2-(hydroxymethyl)prop-2-enyl]phenanthren-9-one
CID 102387194
2-[2-(3,4-difluorophenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
CID 10041427
2-hydroxy-2-[2-(4-methyl-5-oxocyclohex-3-en-1-yl)prop-2-enyl]indene-1,3-dione
CID 10470631
3-phenylbut-3-enoic acid
CID 10702134
trans-(1R,2S)-1-(2-phenylprop-2-enyl)cyclohexane-1,2-diol
CID 101024510
2,2-dihydroxyindene-1,3-dione;pyridine
CID 67634501
2-[(E)-hex-2-enyl]-2-hydroxyindene-1,3-dione
CID 10014708
2-(1-phenylethenoxy)isoindole-1,3-dione
CID 13332656
10-benzyl-10-hydroxyanthracen-9-one
CID 12660749
3-phenylbut-3-enoxysilane
CID 173347407
1-ethyl-2-(2-phenylprop-2-enyl)benzene
CID 18968382
pent-1-en-2-ylbenzene
CID 521761

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione?
The IUPAC name of 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione (CID 10356191) is 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione.
What is the SMILES notation for 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione?
The canonical SMILES for 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione is C=C(CC1(O)C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione?
The InChIKey is AUDXUPLXJISPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-12(13-7-3-2-4-8-13)11-18(21)16(19)14-9-5-6-10-15(14)17(18)20/h2-10,21H,1,11H2.
What are the key properties of 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione?
2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione has a molecular weight of 278.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-phenylprop-2-enyl)indene-1,3-dione is sourced from PubChem (CID 10356191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).