1-(6,7-dimethoxynaphthalen-1-yl)ethanone

C14H14O3 — CID 54066039

IUPAC1-(6,7-dimethoxynaphthalen-1-yl)ethanone
SMILESCOc1cc2cccc(C(C)=O)c2cc1OC
InChIInChI=1S/C14H14O3/c1-9(15)11-6-4-5-10-7-13(16-2)14(17-3)8-12(10)11/h4-8H,1-3H3
InChIKeyMDAZSGJHRPTZTC-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.06
Rot. Bonds3

About 1-(6,7-dimethoxynaphthalen-1-yl)ethanone

1-(6,7-dimethoxynaphthalen-1-yl)ethanone (PubChem CID 54066039) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(6,7-dimethoxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dimethoxynaphthalen-1-yl)ethanone
PubChem CID54066039
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name1-(6,7-dimethoxynaphthalen-1-yl)ethanone
SMILESCOc1cc2cccc(C(C)=O)c2cc1OC
InChIInChI=1S/C14H14O3/c1-9(15)11-6-4-5-10-7-13(16-2)14(17-3)8-12(10)11/h4-8H,1-3H3
InChIKeyMDAZSGJHRPTZTC-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6,7-dimethoxynaphthalen-1-yl)ethanone 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

5-acetyl-3-iodooxynaphthalene-2-carboxylic acid
CID 174311034
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747
1-(6-methylnaphthalen-1-yl)ethanone
CID 15563484
1-[3-methoxy-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanone
CID 117052369
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
1-(3-methoxy-5,8-dimethylnaphthalen-2-yl)ethanone
CID 11333653
1-(7-propan-2-ylnaphthalen-1-yl)ethanone
CID 14250513
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
5,6-dimethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 12690611
1-[2-(chloroamino)-3-methoxyphenyl]ethanone
CID 174727261

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxynaphthalen-1-yl)ethanone?
The IUPAC name of 1-(6,7-dimethoxynaphthalen-1-yl)ethanone (CID 54066039) is 1-(6,7-dimethoxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(6,7-dimethoxynaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(6,7-dimethoxynaphthalen-1-yl)ethanone is COc1cc2cccc(C(C)=O)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxynaphthalen-1-yl)ethanone?
The InChIKey is MDAZSGJHRPTZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-9(15)11-6-4-5-10-7-13(16-2)14(17-3)8-12(10)11/h4-8H,1-3H3.
What are the key properties of 1-(6,7-dimethoxynaphthalen-1-yl)ethanone?
1-(6,7-dimethoxynaphthalen-1-yl)ethanone has a molecular weight of 230.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 54066039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).