1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone

C15H16O3 — CID 174193299

IUPAC1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone
SMILESCOc1cc2cc(OC)c(C(C)=O)cc2cc1C
InChIInChI=1S/C15H16O3/c1-9-5-11-6-13(10(2)16)15(18-4)8-12(11)7-14(9)17-3/h5-8H,1-4H3
InChIKeyCRKJVQRIXXLICN-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.37
Rot. Bonds3

About 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone

1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone (PubChem CID 174193299) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone
PubChem CID174193299
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone
SMILESCOc1cc2cc(OC)c(C(C)=O)cc2cc1C
InChIInChI=1S/C15H16O3/c1-9-5-11-6-13(10(2)16)15(18-4)8-12(11)7-14(9)17-3/h5-8H,1-4H3
InChIKeyCRKJVQRIXXLICN-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653
1-(2-bromo-4-methoxy-5-methylphenyl)ethanone
CID 134818651
5-acetyl-4-methoxy-2-methylbenzaldehyde
CID 171022024
2,5-dimethoxy-4-methylbenzamide
CID 82491295
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
7-methoxy-6-methylisoquinoline-3-carboxylic acid
CID 82393522
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
6-acetyl-7-methoxy-4-methylchromen-2-one
CID 15290605
2,5-dimethoxy-4-methylbenzoyl cyanide
CID 116918983
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone (CID 174193299) is 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone is COc1cc2cc(OC)c(C(C)=O)cc2cc1C.
What is the InChIKey of 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone?
The InChIKey is CRKJVQRIXXLICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-9-5-11-6-13(10(2)16)15(18-4)8-12(11)7-14(9)17-3/h5-8H,1-4H3.
What are the key properties of 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone?
1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone has a molecular weight of 244.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethoxy-7-methylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 174193299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).