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

C25H22O — CID 154426487

IUPACphenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone
SMILESCC1=CC(c2ccc3ccccc3c2C(=O)c2ccccc2)C(C)=C1C
InChIInChI=1S/C25H22O/c1-16-15-23(18(3)17(16)2)22-14-13-19-9-7-8-12-21(19)24(22)25(26)20-10-5-4-6-11-20/h4-15,23H,1-3H3
InChIKeyOGYSNWUPOUYYJG-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.45
Rot. Bonds3

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

phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone (PubChem CID 154426487) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone
PubChem CID154426487
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Namephenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone
SMILESCC1=CC(c2ccc3ccccc3c2C(=O)c2ccccc2)C(C)=C1C
InChIInChI=1S/C25H22O/c1-16-15-23(18(3)17(16)2)22-14-13-19-9-7-8-12-21(19)24(22)25(26)20-10-5-4-6-11-20/h4-15,23H,1-3H3
InChIKeyOGYSNWUPOUYYJG-UHFFFAOYSA-N
XLogP6.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone?
The IUPAC name of phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone (CID 154426487) is phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone.
What is the SMILES notation for phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone?
The canonical SMILES for phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone is CC1=CC(c2ccc3ccccc3c2C(=O)c2ccccc2)C(C)=C1C.
What is the InChIKey of phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone?
The InChIKey is OGYSNWUPOUYYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O/c1-16-15-23(18(3)17(16)2)22-14-13-19-9-7-8-12-21(19)24(22)25(26)20-10-5-4-6-11-20/h4-15,23H,1-3H3.
What are the key properties of phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone?
phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone is sourced from PubChem (CID 154426487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).