4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one

C23H26O — CID 73080839

IUPAC4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one
SMILESCCCC1=C(CCC)C(c2ccccc2)C(c2ccccc2)C1=O
InChIInChI=1S/C23H26O/c1-3-11-19-20(12-4-2)23(24)22(18-15-9-6-10-16-18)21(19)17-13-7-5-8-14-17/h5-10,13-16,21-22H,3-4,11-12H2,1-2H3
InChIKeyRCHMOVGZJYGFOM-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.03
Rot. Bonds6

About 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one

4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one (PubChem CID 73080839) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one
PubChem CID73080839
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one
SMILESCCCC1=C(CCC)C(c2ccccc2)C(c2ccccc2)C1=O
InChIInChI=1S/C23H26O/c1-3-11-19-20(12-4-2)23(24)22(18-15-9-6-10-16-18)21(19)17-13-7-5-8-14-17/h5-10,13-16,21-22H,3-4,11-12H2,1-2H3
InChIKeyRCHMOVGZJYGFOM-UHFFFAOYSA-N
XLogP6.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
CID 5250336
10-(2,3-dipropylcycloprop-2-en-1-ylidene)anthracen-9-one
CID 628791
(2S)-2,3-diphenyl-4-propyl-2H-furan-5-one
CID 101165719
2-phenoxy-3-propylcyclohexa-2,5-diene-1,4-dione
CID 175298861
2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one
CID 10922728
(6S,6aS)-4-pentyl-6-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10754528
7,8-diphenyl-5-propyl-3-oxabicyclo[4.2.0]octa-1(8),5-dien-4-one
CID 102323351
2-methyl-3-propylinden-1-one
CID 10465047
3-phenyl-4-propyl-2H-furan-5-one
CID 118283591
1-hexyl-3,4-diphenylpyrrolidine-2,5-dione
CID 58821955
cis-(3R,4S)-3-butyl-2,2-dimethyl-4-phenylcyclobutan-1-one
CID 10889734
ethyl (4R,5R)-3-oxo-2,4,5-triphenylcyclopentene-1-carboxylate
CID 132560560

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one?
The IUPAC name of 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one (CID 73080839) is 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one.
What is the SMILES notation for 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one?
The canonical SMILES for 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one is CCCC1=C(CCC)C(c2ccccc2)C(c2ccccc2)C1=O.
What is the InChIKey of 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one?
The InChIKey is RCHMOVGZJYGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-3-11-19-20(12-4-2)23(24)22(18-15-9-6-10-16-18)21(19)17-13-7-5-8-14-17/h5-10,13-16,21-22H,3-4,11-12H2,1-2H3.
What are the key properties of 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one?
4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one has a molecular weight of 318.46 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one is sourced from PubChem (CID 73080839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).