ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate

C18H22O4 — CID 177499476

IUPACethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate
SMILESCCC[C@@]1(CC(=O)OCC)C=CC(=O)c2cccc(OC)c21
InChIInChI=1S/C18H22O4/c1-4-10-18(12-16(20)22-5-2)11-9-14(19)13-7-6-8-15(21-3)17(13)18/h6-9,11H,4-5,10,12H2,1-3H3/t18-/m0/s1
InChIKeyJQMWRJAFDJLXKT-SFHVURJKSA-N
MW302.37 g/mol
LogP3.44
Rot. Bonds6

About ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate

ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate (PubChem CID 177499476) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate
PubChem CID177499476
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Nameethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate
SMILESCCC[C@@]1(CC(=O)OCC)C=CC(=O)c2cccc(OC)c21
InChIInChI=1S/C18H22O4/c1-4-10-18(12-16(20)22-5-2)11-9-14(19)13-7-6-8-15(21-3)17(13)18/h6-9,11H,4-5,10,12H2,1-3H3/t18-/m0/s1
InChIKeyJQMWRJAFDJLXKT-SFHVURJKSA-N
XLogP3.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate
CID 177496466
ethyl 8'-methoxy-4'-oxospiro[cyclopropane-2,1'-naphthalene]-1-carboxylate
CID 102304288
ethyl 2-[9-[2-(9-propylfluoren-9-yl)propan-2-yl]fluoren-9-yl]acetate
CID 118344197
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
ethyl 2-[(2R)-2-hydroxy-5-methoxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 125113228
ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134627131
ethyl 2-hydroxy-7-methoxy-3-oxo-1H-indene-2-carboxylate
CID 158400302
ethyl 2-(9,10-dioxoanthracen-1-yl)oxyacetate
CID 11289858
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
ethyl 5-(4,8-dimethoxy-9,10-dioxoanthracen-2-yl)-3-oxopentanoate
CID 95931140
ethyl 3-(2-fluoro-6-methoxyphenyl)-3-oxopropanoate
CID 67112522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate?
The IUPAC name of ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate (CID 177499476) is ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate is CCC[C@@]1(CC(=O)OCC)C=CC(=O)c2cccc(OC)c21.
What is the InChIKey of ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate?
The InChIKey is JQMWRJAFDJLXKT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22O4/c1-4-10-18(12-16(20)22-5-2)11-9-14(19)13-7-6-8-15(21-3)17(13)18/h6-9,11H,4-5,10,12H2,1-3H3/t18-/m0/s1.
What are the key properties of ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate?
ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate has a molecular weight of 302.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-8-methoxy-4-oxo-1-propylnaphthalen-1-yl]acetate is sourced from PubChem (CID 177499476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).