3-(6-methoxynaphthalen-2-yl)butan-2-one

C15H16O2 — CID 13292512

IUPAC3-(6-methoxynaphthalen-2-yl)butan-2-one
SMILESCOc1ccc2cc(C(C)C(C)=O)ccc2c1
InChIInChI=1S/C15H16O2/c1-10(11(2)16)12-4-5-14-9-15(17-3)7-6-13(14)8-12/h4-10H,1-3H3
InChIKeyTTWSTXQCRNWYJZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.54
Rot. Bonds3

About 3-(6-methoxynaphthalen-2-yl)butan-2-one

3-(6-methoxynaphthalen-2-yl)butan-2-one (PubChem CID 13292512) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(6-methoxynaphthalen-2-yl)butan-2-one.

Molecular Properties

Compound Name3-(6-methoxynaphthalen-2-yl)butan-2-one
PubChem CID13292512
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3-(6-methoxynaphthalen-2-yl)butan-2-one
SMILESCOc1ccc2cc(C(C)C(C)=O)ccc2c1
InChIInChI=1S/C15H16O2/c1-10(11(2)16)12-4-5-14-9-15(17-3)7-6-13(14)8-12/h4-10H,1-3H3
InChIKeyTTWSTXQCRNWYJZ-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
CID 46782447
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one
CID 116955950
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxynaphthalen-2-yl)butan-2-one?
The IUPAC name of 3-(6-methoxynaphthalen-2-yl)butan-2-one (CID 13292512) is 3-(6-methoxynaphthalen-2-yl)butan-2-one.
What is the SMILES notation for 3-(6-methoxynaphthalen-2-yl)butan-2-one?
The canonical SMILES for 3-(6-methoxynaphthalen-2-yl)butan-2-one is COc1ccc2cc(C(C)C(C)=O)ccc2c1.
What is the InChIKey of 3-(6-methoxynaphthalen-2-yl)butan-2-one?
The InChIKey is TTWSTXQCRNWYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10(11(2)16)12-4-5-14-9-15(17-3)7-6-13(14)8-12/h4-10H,1-3H3.
What are the key properties of 3-(6-methoxynaphthalen-2-yl)butan-2-one?
3-(6-methoxynaphthalen-2-yl)butan-2-one has a molecular weight of 228.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxynaphthalen-2-yl)butan-2-one is sourced from PubChem (CID 13292512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).