ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate

C19H19NO4 — CID 138968204

IUPACethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate
SMILESCCOC(=O)C(C#N)c1ccc(OC)cc1OCc1ccccc1
InChIInChI=1S/C19H19NO4/c1-3-23-19(21)17(12-20)16-10-9-15(22-2)11-18(16)24-13-14-7-5-4-6-8-14/h4-11,17H,3,13H2,1-2H3
InChIKeyRXRLXRLIDVIKOR-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.44
Rot. Bonds7

About ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate

ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate (PubChem CID 138968204) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate
PubChem CID138968204
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate
SMILESCCOC(=O)C(C#N)c1ccc(OC)cc1OCc1ccccc1
InChIInChI=1S/C19H19NO4/c1-3-23-19(21)17(12-20)16-10-9-15(22-2)11-18(16)24-13-14-7-5-4-6-8-14/h4-11,17H,3,13H2,1-2H3
InChIKeyRXRLXRLIDVIKOR-UHFFFAOYSA-N
XLogP3.44
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-(4-methoxy-2-phenylmethoxyphenyl)-3-oxopropanoic acid
CID 138968259
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
ethyl 2-cyano-2-(4-methoxy-2-nitrophenyl)acetate
CID 11086625
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894473
ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
CID 135011770
ethyl 2-cyano-2-[4-methoxy-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]acetate
CID 102357865
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
CID 117323079
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186
ethyl 2-amino-3-(4-methyl-3-phenylmethoxyphenyl)propanoate
CID 144719358
3-[[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]methyl]benzonitrile
CID 82000539

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate?
The IUPAC name of ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate (CID 138968204) is ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate is CCOC(=O)C(C#N)c1ccc(OC)cc1OCc1ccccc1.
What is the InChIKey of ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate?
The InChIKey is RXRLXRLIDVIKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-23-19(21)17(12-20)16-10-9-15(22-2)11-18(16)24-13-14-7-5-4-6-8-14/h4-11,17H,3,13H2,1-2H3.
What are the key properties of ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate?
ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate has a molecular weight of 325.36 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 138968204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).