ethane;5-naphthalen-2-ylpentan-2-one

C17H22O — CID 177221326

IUPACethane;5-naphthalen-2-ylpentan-2-one
SMILESCC.CC(=O)CCCc1ccc2ccccc2c1
InChIInChI=1S/C15H16O.C2H6/c1-12(16)5-4-6-13-9-10-14-7-2-3-8-15(14)11-13;1-2/h2-3,7-11H,4-6H2,1H3;1-2H3
InChIKeyIFBMMLZULFEQIY-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.78
Rot. Bonds4

About ethane;5-naphthalen-2-ylpentan-2-one

ethane;5-naphthalen-2-ylpentan-2-one (PubChem CID 177221326) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is ethane;5-naphthalen-2-ylpentan-2-one.

Molecular Properties

Compound Nameethane;5-naphthalen-2-ylpentan-2-one
PubChem CID177221326
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Nameethane;5-naphthalen-2-ylpentan-2-one
SMILESCC.CC(=O)CCCc1ccc2ccccc2c1
InChIInChI=1S/C15H16O.C2H6/c1-12(16)5-4-6-13-9-10-14-7-2-3-8-15(14)11-13;1-2/h2-3,7-11H,4-6H2,1H3;1-2H3
InChIKeyIFBMMLZULFEQIY-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;5-naphthalen-2-ylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-naphthalen-2-ylbutanehydrazide
CID 116845183
10-naphthalen-2-yldecanoic acid
CID 21478009
5-phenylpentan-2-one
CID 16701
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
ethane;5-(3-hydroxyphenyl)pentan-2-one
CID 142810997
ethane;2-hexylnaphthalene
CID 142191207
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
6-naphthalen-2-ylsulfonylhexan-2-one
CID 64642402
5-(3-acetylphenyl)pentan-2-one
CID 11052734
2,2-difluoro-4-naphthalen-2-ylbutanoic acid;ethane
CID 144811646
6-naphthalen-2-ylhexan-2-ol
CID 19933710

Frequently Asked Questions

What is the IUPAC name of ethane;5-naphthalen-2-ylpentan-2-one?
The IUPAC name of ethane;5-naphthalen-2-ylpentan-2-one (CID 177221326) is ethane;5-naphthalen-2-ylpentan-2-one.
What is the SMILES notation for ethane;5-naphthalen-2-ylpentan-2-one?
The canonical SMILES for ethane;5-naphthalen-2-ylpentan-2-one is CC.CC(=O)CCCc1ccc2ccccc2c1.
What is the InChIKey of ethane;5-naphthalen-2-ylpentan-2-one?
The InChIKey is IFBMMLZULFEQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C2H6/c1-12(16)5-4-6-13-9-10-14-7-2-3-8-15(14)11-13;1-2/h2-3,7-11H,4-6H2,1H3;1-2H3.
What are the key properties of ethane;5-naphthalen-2-ylpentan-2-one?
ethane;5-naphthalen-2-ylpentan-2-one has a molecular weight of 242.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-naphthalen-2-ylpentan-2-one is sourced from PubChem (CID 177221326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).