1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one

C17H18O2 — CID 113325067

IUPAC1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
SMILESCOc1ccc2cccc(CC(=O)CC3CC3)c2c1
InChIInChI=1S/C17H18O2/c1-19-16-8-7-13-3-2-4-14(17(13)11-16)10-15(18)9-12-5-6-12/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyFPHFKGPGAMAFOV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.76
Rot. Bonds5

About 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one

1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one (PubChem CID 113325067) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
PubChem CID113325067
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
SMILESCOc1ccc2cccc(CC(=O)CC3CC3)c2c1
InChIInChI=1S/C17H18O2/c1-19-16-8-7-13-3-2-4-14(17(13)11-16)10-15(18)9-12-5-6-12/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyFPHFKGPGAMAFOV-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one 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

3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120535790
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 75388302
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
N-[(7-methoxynaphthalen-1-yl)methoxy]cyclopropanecarboxamide
CID 19967333
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120519197
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
2-piperidin-4-ylpropan-2-yl 2-(7-methoxynaphthalen-1-yl)acetate
CID 155075742
4-cyclopropyl-1-(7-methoxynaphthalen-1-yl)-N-methylbutan-2-amine
CID 115506243
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one?
The IUPAC name of 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one (CID 113325067) is 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one is COc1ccc2cccc(CC(=O)CC3CC3)c2c1.
What is the InChIKey of 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one?
The InChIKey is FPHFKGPGAMAFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-16-8-7-13-3-2-4-14(17(13)11-16)10-15(18)9-12-5-6-12/h2-4,7-8,11-12H,5-6,9-10H2,1H3.
What are the key properties of 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one?
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one is sourced from PubChem (CID 113325067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).