ethyl 2-(6-methoxynaphthalen-2-yl)propanoate

C16H18O3 — CID 2732945

IUPACethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCOC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H18O3/c1-4-19-16(17)11(2)12-5-6-14-10-15(18-3)8-7-13(14)9-12/h5-11H,4H2,1-3H3
InChIKeyURNAYRDBUUZOIU-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.52
Rot. Bonds4

About ethyl 2-(6-methoxynaphthalen-2-yl)propanoate

ethyl 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 2732945) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID2732945
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Nameethyl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCOC(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H18O3/c1-4-19-16(17)11(2)12-5-6-14-10-15(18-3)8-7-13(14)9-12/h5-11H,4H2,1-3H3
InChIKeyURNAYRDBUUZOIU-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of ethyl 2-(6-methoxynaphthalen-2-yl)propanoate (CID 2732945) is ethyl 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for ethyl 2-(6-methoxynaphthalen-2-yl)propanoate is CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is URNAYRDBUUZOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-4-19-16(17)11(2)12-5-6-14-10-15(18-3)8-7-13(14)9-12/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 2-(6-methoxynaphthalen-2-yl)propanoate?
ethyl 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 258.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 2732945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).