ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate

C17H20O3 — CID 177496466

IUPACethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate
SMILESCCC[C@@]1(CC(=O)OCC)C=CC(=O)c2ccccc21
InChIInChI=1S/C17H20O3/c1-3-10-17(12-16(19)20-4-2)11-9-15(18)13-7-5-6-8-14(13)17/h5-9,11H,3-4,10,12H2,1-2H3/t17-/m0/s1
InChIKeyVRNDLBNTNBXSCM-KRWDZBQOSA-N
MW272.34 g/mol
LogP3.43
Rot. Bonds5

About ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate

ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate (PubChem CID 177496466) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate
PubChem CID177496466
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nameethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate
SMILESCCC[C@@]1(CC(=O)OCC)C=CC(=O)c2ccccc21
InChIInChI=1S/C17H20O3/c1-3-10-17(12-16(19)20-4-2)11-9-15(18)13-7-5-6-8-14(13)17/h5-9,11H,3-4,10,12H2,1-2H3/t17-/m0/s1
InChIKeyVRNDLBNTNBXSCM-KRWDZBQOSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate 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

ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate
CID 177499476
ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate
CID 118344197
carbon monoxide;chromium(6+);ethyl 2-[8-(2-ethoxy-2-oxoethyl)-7,8-dihydroxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]acetate
CID 11986200
4-hydroperoxy-4-methylnaphthalen-1-one
CID 13383451
3-amino-3-propyl-2-benzofuran-1-one
CID 70621686
ethyl 2-[2-[(4-methylphenyl)methyl]-1,3-dioxoinden-2-yl]acetate
CID 790489
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
ethyl 2-(1-amino-2,3-dihydroinden-1-yl)acetate
CID 79848288
ethyl 2-(1-tert-butylspiro[4H-imidazol-3-ium-5,9'-fluorene]-3-yl)acetate
CID 102050287
ethyl 2-(5-chloroindeno[1,2-b]pyridin-5-yl)acetate
CID 14792995
ethyl 9-hydroxyfluorene-9-carboxylate
CID 139070715
ethyl 2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)acetate
CID 12507120

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate?
The IUPAC name of ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate (CID 177496466) is ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate is CCC[C@@]1(CC(=O)OCC)C=CC(=O)c2ccccc21.
What is the InChIKey of ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate?
The InChIKey is VRNDLBNTNBXSCM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20O3/c1-3-10-17(12-16(19)20-4-2)11-9-15(18)13-7-5-6-8-14(13)17/h5-9,11H,3-4,10,12H2,1-2H3/t17-/m0/s1.
What are the key properties of ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate?
ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate has a molecular weight of 272.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate is sourced from PubChem (CID 177496466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).