1-cyclooctyl-2-naphthalen-2-ylethanone

C20H24O — CID 65018574

IUPAC1-cyclooctyl-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)C1CCCCCCC1
InChIInChI=1S/C20H24O/c21-20(18-9-4-2-1-3-5-10-18)15-16-12-13-17-8-6-7-11-19(17)14-16/h6-8,11-14,18H,1-5,9-10,15H2
InChIKeyXPZHZEIVRGEKLQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.31
Rot. Bonds3

About 1-cyclooctyl-2-naphthalen-2-ylethanone

1-cyclooctyl-2-naphthalen-2-ylethanone (PubChem CID 65018574) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-cyclooctyl-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-cyclooctyl-2-naphthalen-2-ylethanone
PubChem CID65018574
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name1-cyclooctyl-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)C1CCCCCCC1
InChIInChI=1S/C20H24O/c21-20(18-9-4-2-1-3-5-10-18)15-16-12-13-17-8-6-7-11-19(17)14-16/h6-8,11-14,18H,1-5,9-10,15H2
InChIKeyXPZHZEIVRGEKLQ-UHFFFAOYSA-N
XLogP5.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(1R,2R)-2-hydroxycyclohexyl]-2-naphthalen-2-ylacetamide
CID 104927093
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
1-cyclopentyl-2-(3-iodophenyl)ethanone
CID 158596925
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-2-naphthalen-2-ylethanone?
The IUPAC name of 1-cyclooctyl-2-naphthalen-2-ylethanone (CID 65018574) is 1-cyclooctyl-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-cyclooctyl-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-cyclooctyl-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-2-naphthalen-2-ylethanone?
The InChIKey is XPZHZEIVRGEKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c21-20(18-9-4-2-1-3-5-10-18)15-16-12-13-17-8-6-7-11-19(17)14-16/h6-8,11-14,18H,1-5,9-10,15H2.
What are the key properties of 1-cyclooctyl-2-naphthalen-2-ylethanone?
1-cyclooctyl-2-naphthalen-2-ylethanone has a molecular weight of 280.41 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-2-naphthalen-2-ylethanone is sourced from PubChem (CID 65018574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).