ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate

C16H15NO3 — CID 135011770

IUPACethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
SMILESCCOC(=O)C(C#N)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H15NO3/c1-3-20-16(18)15(10-17)13-5-4-12-9-14(19-2)7-6-11(12)8-13/h4-9,15H,3H2,1-2H3
InChIKeyFZHLPLVBQMKNMO-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds4

About ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate

ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate (PubChem CID 135011770) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
PubChem CID135011770
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Nameethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
SMILESCCOC(=O)C(C#N)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H15NO3/c1-3-20-16(18)15(10-17)13-5-4-12-9-14(19-2)7-6-11(12)8-13/h4-9,15H,3H2,1-2H3
InChIKeyFZHLPLVBQMKNMO-UHFFFAOYSA-N
XLogP3.02
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-2-(6-methoxynaphthalen-2-yl)-3-oxopropanoic acid
CID 139774449
ethyl (2S)-2-cyano-2-(4-methylphenyl)acetate
CID 13004220
[cyano-(6-methoxynaphthalen-2-yl)methyl] butanoate
CID 70016122
ethyl 3-cyano-3-(3-methoxyphenyl)-2-oxopropanoate
CID 66490672
ethyl 2-cyano-2-(4-methoxy-2-nitrophenyl)acetate
CID 11086625
ethyl 2-cyano-2-(6-methoxy-3-pyridinyl)acetate
CID 118104999
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
ethyl (2R)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86309605
ethyl (2S)-2-(3-chlorophenyl)-2-cyanoacetate
CID 86312949
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile
CID 43334322

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate?
The IUPAC name of ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate (CID 135011770) is ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate?
The canonical SMILES for ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate is CCOC(=O)C(C#N)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate?
The InChIKey is FZHLPLVBQMKNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-3-20-16(18)15(10-17)13-5-4-12-9-14(19-2)7-6-11(12)8-13/h4-9,15H,3H2,1-2H3.
What are the key properties of ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate?
ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate has a molecular weight of 269.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate is sourced from PubChem (CID 135011770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).