(3-ethylcyclopentyl)-naphthalen-1-ylmethanone

C18H20O — CID 65409486

IUPAC(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
SMILESCCC1CCC(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H20O/c1-2-13-10-11-15(12-13)18(19)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15H,2,10-12H2,1H3
InChIKeyPIGMZVNOCPEJOD-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.85
Rot. Bonds3

About (3-ethylcyclopentyl)-naphthalen-1-ylmethanone

(3-ethylcyclopentyl)-naphthalen-1-ylmethanone (PubChem CID 65409486) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3-ethylcyclopentyl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
PubChem CID65409486
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
SMILESCCC1CCC(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C18H20O/c1-2-13-10-11-15(12-13)18(19)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15H,2,10-12H2,1H3
InChIKeyPIGMZVNOCPEJOD-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65425044
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-naphthalen-1-ylmethanone
CID 115997804
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 65393715
(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
CID 114601910
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
(3-ethylcyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 65407174
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopentyl)-naphthalen-1-ylmethanone?
The IUPAC name of (3-ethylcyclopentyl)-naphthalen-1-ylmethanone (CID 65409486) is (3-ethylcyclopentyl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (3-ethylcyclopentyl)-naphthalen-1-ylmethanone?
The canonical SMILES for (3-ethylcyclopentyl)-naphthalen-1-ylmethanone is CCC1CCC(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of (3-ethylcyclopentyl)-naphthalen-1-ylmethanone?
The InChIKey is PIGMZVNOCPEJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-2-13-10-11-15(12-13)18(19)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15H,2,10-12H2,1H3.
What are the key properties of (3-ethylcyclopentyl)-naphthalen-1-ylmethanone?
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone has a molecular weight of 252.36 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopentyl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 65409486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).