2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione

C21H18O2 — CID 15564916

IUPAC2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(CC1C=CC=C1)C(=O)c1ccccc1
InChIInChI=1S/C21H18O2/c22-20(17-11-3-1-4-12-17)19(15-16-9-7-8-10-16)21(23)18-13-5-2-6-14-18/h1-14,16,19H,15H2
InChIKeyDBTCLTKLZJJENT-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.50
Rot. Bonds6

About 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione

2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione (PubChem CID 15564916) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione.

Molecular Properties

Compound Name2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione
PubChem CID15564916
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione
SMILESO=C(c1ccccc1)C(CC1C=CC=C1)C(=O)c1ccccc1
InChIInChI=1S/C21H18O2/c22-20(17-11-3-1-4-12-17)19(15-16-9-7-8-10-16)21(23)18-13-5-2-6-14-18/h1-14,16,19H,15H2
InChIKeyDBTCLTKLZJJENT-UHFFFAOYSA-N
XLogP4.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1,3-diphenylpropane-1,3-dione
CID 10514968
2-(methylsulfanylmethyl)-1,3-diphenylpropane-1,3-dione
CID 12815430
benzoic acid;(1R,2S)-cyclohexa-3,5-diene-1,2-diol
CID 71406115
5-benzoyl-6-oxo-6-phenylhex-2-enal
CID 173141184
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
1-phenyl-2-[(Z)-2-phenylbut-2-enyl]butane-1,3-dione
CID 101458406
2,5-dibenzoylhexanedioic acid;2,5-dibenzoylhexanedioyl dichloride
CID 158534697
1-(2-methylphenyl)-3-phenyl-2-(3-phenylprop-2-enyl)propane-1,3-dione
CID 164898904
2-hydroxy-1,2-diphenylethanone
CID 159399559
4-benzoyl-5-oxo-5-phenylpentanenitrile
CID 25205019
sodium 2-benzoylbutanoate
CID 67926417
CID 150550422
CID 150550422

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione?
The IUPAC name of 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione (CID 15564916) is 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione.
What is the SMILES notation for 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione?
The canonical SMILES for 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione is O=C(c1ccccc1)C(CC1C=CC=C1)C(=O)c1ccccc1.
What is the InChIKey of 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione?
The InChIKey is DBTCLTKLZJJENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c22-20(17-11-3-1-4-12-17)19(15-16-9-7-8-10-16)21(23)18-13-5-2-6-14-18/h1-14,16,19H,15H2.
What are the key properties of 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione?
2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione has a molecular weight of 302.37 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione is sourced from PubChem (CID 15564916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).