1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one

C24H26O2 — CID 11325449

IUPAC1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one
SMILESCCCC(=O)C1=C(c2ccccc2)C(c2ccccc2)=CC1(O)CCC
InChIInChI=1S/C24H26O2/c1-3-11-21(25)23-22(19-14-9-6-10-15-19)20(17-24(23,26)16-4-2)18-12-7-5-8-13-18/h5-10,12-15,17,26H,3-4,11,16H2,1-2H3
InChIKeyNSZWBYYXCGGSRV-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.44
Rot. Bonds7

About 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one

1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one (PubChem CID 11325449) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one
PubChem CID11325449
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one
SMILESCCCC(=O)C1=C(c2ccccc2)C(c2ccccc2)=CC1(O)CCC
InChIInChI=1S/C24H26O2/c1-3-11-21(25)23-22(19-14-9-6-10-15-19)20(17-24(23,26)16-4-2)18-12-7-5-8-13-18/h5-10,12-15,17,26H,3-4,11,16H2,1-2H3
InChIKeyNSZWBYYXCGGSRV-UHFFFAOYSA-N
XLogP5.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

Mls002638215
CID 223673
4-Hydroxy-3,4-diphenyl-cyclopent-2-enone
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1,7-Diphenyl-6(E)-Hepten-3-One-5-Ol
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6,6,7,7-Tetrafluoro-5-hydroxy-1,5-diphenyl-1-hepten-3-one
CID 5290862
5-Hydroxy-1,7-diphenyl-4E,6E-dien-3-heptanone
CID 45483921
(E)-5-hydroxy-1,7-diphenylhept-1-en-3-one
CID 11208265
(5Z)-5-benzylidene-4-hydroxy-4-(3-phenylprop-2-ynyl)cyclopent-2-en-1-one
CID 44380832
(1'R)-candenatenin B
CID 44254876
5-Hydroxy-1,5-diphenylhexane-1,3-dione
CID 241655
4-Hydroxy-2,3,4-triphenyl-2-cyclopenten-1-one
CID 361630
[(3E)-2-hydroxy-3-[(3-methylphenyl)methylidene]cyclohexen-1-yl]-phenylmethanone
CID 127048330
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CID 127048331

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one?
The IUPAC name of 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one (CID 11325449) is 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one.
What is the SMILES notation for 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one?
The canonical SMILES for 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one is CCCC(=O)C1=C(c2ccccc2)C(c2ccccc2)=CC1(O)CCC.
What is the InChIKey of 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one?
The InChIKey is NSZWBYYXCGGSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-3-11-21(25)23-22(19-14-9-6-10-15-19)20(17-24(23,26)16-4-2)18-12-7-5-8-13-18/h5-10,12-15,17,26H,3-4,11,16H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one?
1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one has a molecular weight of 346.47 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2,3-diphenyl-5-propylcyclopenta-1,3-dien-1-yl)butan-1-one is sourced from PubChem (CID 11325449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).