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

C18H16O — CID 23015879

IUPAC1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone
SMILESCC(=O)c1cc2ccccc2cc1C1=CC(C)=CC1
InChIInChI=1S/C18H16O/c1-12-7-8-16(9-12)18-11-15-6-4-3-5-14(15)10-17(18)13(2)19/h3-7,9-11H,8H2,1-2H3
InChIKeyMRUKDNKRAGXGQP-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.78
Rot. Bonds2

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

1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone (PubChem CID 23015879) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone
PubChem CID23015879
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone
SMILESCC(=O)c1cc2ccccc2cc1C1=CC(C)=CC1
InChIInChI=1S/C18H16O/c1-12-7-8-16(9-12)18-11-15-6-4-3-5-14(15)10-17(18)13(2)19/h3-7,9-11H,8H2,1-2H3
InChIKeyMRUKDNKRAGXGQP-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone?
The IUPAC name of 1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone (CID 23015879) is 1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone is CC(=O)c1cc2ccccc2cc1C1=CC(C)=CC1.
What is the InChIKey of 1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone?
The InChIKey is MRUKDNKRAGXGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-12-7-8-16(9-12)18-11-15-6-4-3-5-14(15)10-17(18)13(2)19/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone?
1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone has a molecular weight of 248.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-2-yl]ethanone is sourced from PubChem (CID 23015879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).