4-(6-methoxynaphthalen-2-yl)butan-2-one

C15H16O2 — CID 4409

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IUPAC4-(6-methoxynaphthalen-2-yl)butan-2-one
SMILESCOc1ccc2cc(CCC(C)=O)ccc2c1
InChIInChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
InChIKeyBLXXJMDCKKHMKV-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.37
Rot. Bonds4

About 4-(6-methoxynaphthalen-2-yl)butan-2-one

4-(6-methoxynaphthalen-2-yl)butan-2-one (PubChem CID 4409) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(6-methoxynaphthalen-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(6-methoxynaphthalen-2-yl)butan-2-one
PubChem CID4409
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name4-(6-methoxynaphthalen-2-yl)butan-2-one
SMILESCOc1ccc2cc(CCC(C)=O)ccc2c1
InChIInChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
InChIKeyBLXXJMDCKKHMKV-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Naproxen
CID 156391
Naproxen Sodium
CID 23681059
2-Methoxynaphthalene
CID 7119
Methallenestril
CID 10599
Naproxcinod
CID 9884642
6-Methoxy-2-naphthylacetic acid
CID 32176
6-Methoxy-alpha-tetralone
CID 14112
C.I. Vat Green 1
CID 31410
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
2-(6-Methoxy-2-naphthyl)propionic acid
CID 1302
6-Methoxy-2-naphthaldehyde
CID 76991
(+)-Estrone 3-methyl ether
CID 92895

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxynaphthalen-2-yl)butan-2-one?
The IUPAC name of 4-(6-methoxynaphthalen-2-yl)butan-2-one (CID 4409) is 4-(6-methoxynaphthalen-2-yl)butan-2-one.
What is the SMILES notation for 4-(6-methoxynaphthalen-2-yl)butan-2-one?
The canonical SMILES for 4-(6-methoxynaphthalen-2-yl)butan-2-one is COc1ccc2cc(CCC(C)=O)ccc2c1.
What is the InChIKey of 4-(6-methoxynaphthalen-2-yl)butan-2-one?
The InChIKey is BLXXJMDCKKHMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-(6-methoxynaphthalen-2-yl)butan-2-one?
4-(6-methoxynaphthalen-2-yl)butan-2-one has a molecular weight of 228.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxynaphthalen-2-yl)butan-2-one is sourced from PubChem (CID 4409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).