phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone

C21H20O — CID 23015157

IUPACphenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone
SMILESCC1=CC(C)=C(c2ccccc2C(=O)c2ccccc2)C1C
InChIInChI=1S/C21H20O/c1-14-13-15(2)20(16(14)3)18-11-7-8-12-19(18)21(22)17-9-5-4-6-10-17/h4-13,16H,1-3H3
InChIKeyMFIMUODQSPDIQD-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.29
Rot. Bonds3

About phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone

phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone (PubChem CID 23015157) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone
PubChem CID23015157
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Namephenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone
SMILESCC1=CC(C)=C(c2ccccc2C(=O)c2ccccc2)C1C
InChIInChI=1S/C21H20O/c1-14-13-15(2)20(16(14)3)18-11-7-8-12-19(18)21(22)17-9-5-4-6-10-17/h4-13,16H,1-3H3
InChIKeyMFIMUODQSPDIQD-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
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(2,3-dimethyl-3H-inden-1-yl)-phenylmethanone
CID 102031725
[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670
[2-(2-ethenylphenyl)phenyl]-phenylmethanone
CID 71373352
[2-(diethyl-λ3-iodanyl)phenyl]-phenylmethanone
CID 142740893
[2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone
CID 175304883
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
[2-(2-benzofuran-1-yl)phenyl]-phenylmethanone
CID 174374414
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
[2-[5-(2-benzoylphenyl)-4,8-dibromonaphthalen-1-yl]phenyl]-phenylmethanone
CID 166012594
diphenylmethanone;ethane
CID 158014879

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone?
The IUPAC name of phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone (CID 23015157) is phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone.
What is the SMILES notation for phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone?
The canonical SMILES for phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone is CC1=CC(C)=C(c2ccccc2C(=O)c2ccccc2)C1C.
What is the InChIKey of phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone?
The InChIKey is MFIMUODQSPDIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-14-13-15(2)20(16(14)3)18-11-7-8-12-19(18)21(22)17-9-5-4-6-10-17/h4-13,16H,1-3H3.
What are the key properties of phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone?
phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone has a molecular weight of 288.39 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]methanone is sourced from PubChem (CID 23015157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).