1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone

C20H20O — CID 141067469

IUPAC1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone
SMILESCC(=O)c1c(C2C=C(C)C(C)=C2C)ccc2ccccc12
InChIInChI=1S/C20H20O/c1-12-11-19(14(3)13(12)2)18-10-9-16-7-5-6-8-17(16)20(18)15(4)21/h5-11,19H,1-4H3
InChIKeyVHIOKVUESMQSQS-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.42
Rot. Bonds2

About 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone

1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone (PubChem CID 141067469) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone
PubChem CID141067469
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone
SMILESCC(=O)c1c(C2C=C(C)C(C)=C2C)ccc2ccccc12
InChIInChI=1S/C20H20O/c1-12-11-19(14(3)13(12)2)18-10-9-16-7-5-6-8-17(16)20(18)15(4)21/h5-11,19H,1-4H3
InChIKeyVHIOKVUESMQSQS-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone
CID 154426487
phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanol
CID 141067446
1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one
CID 141067012
1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone
CID 122390793
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
CID 139946466
1-(2,3-dimethylnaphthalen-1-yl)ethanone
CID 19884371
2-bromo-1-(2-methylnaphthalen-1-yl)ethanone;1-(2-methylnaphthalen-1-yl)ethanone;molecular bromine
CID 162190058
1-(2-methyl-1H-benzo[g]indol-3-yl)ethanone
CID 105480486
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one
CID 139946423
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone?
The IUPAC name of 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone (CID 141067469) is 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone?
The canonical SMILES for 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone is CC(=O)c1c(C2C=C(C)C(C)=C2C)ccc2ccccc12.
What is the InChIKey of 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone?
The InChIKey is VHIOKVUESMQSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-12-11-19(14(3)13(12)2)18-10-9-16-7-5-6-8-17(16)20(18)15(4)21/h5-11,19H,1-4H3.
What are the key properties of 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone?
1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone is sourced from PubChem (CID 141067469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).