1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone

C15H16O2 — CID 11333653

IUPAC1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
SMILESCOc1cc2c(C)ccc(C)c2cc1C(C)=O
InChIInChI=1S/C15H16O2/c1-9-5-6-10(2)13-8-15(17-4)14(11(3)16)7-12(9)13/h5-8H,1-4H3
InChIKeyCLRIFHKMPLFHEZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.67
Rot. Bonds2

About 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone

1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone (PubChem CID 11333653) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
PubChem CID11333653
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
SMILESCOc1cc2c(C)ccc(C)c2cc1C(C)=O
InChIInChI=1S/C15H16O2/c1-9-5-6-10(2)13-8-15(17-4)14(11(3)16)7-12(9)13/h5-8H,1-4H3
InChIKeyCLRIFHKMPLFHEZ-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-acetyl-7-methoxy-4-methylchromen-2-one
CID 15290605
1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone
CID 174193299
5-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171022024
1-(7-methoxy-1,4-dimethylindol-2-yl)ethanone
CID 82372628
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-(6,7-dimethoxynaphthalen-1-yl)ethanone
CID 54066039
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470
1-(2-bromo-4-methoxy-5-methylphenyl)ethanone
CID 134818651
4-acetyl-3-methoxybenzaldehyde
CID 14123550
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone (CID 11333653) is 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone is COc1cc2c(C)ccc(C)c2cc1C(C)=O.
What is the InChIKey of 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone?
The InChIKey is CLRIFHKMPLFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-5-6-10(2)13-8-15(17-4)14(11(3)16)7-12(9)13/h5-8H,1-4H3.
What are the key properties of 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone?
1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 11333653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).