ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate

C18H17NO4 — CID 54227701

IUPACethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate
SMILESCCOC(=O)COc1cc(OCc2ccccc2)ccc1C#N
InChIInChI=1S/C18H17NO4/c1-2-21-18(20)13-23-17-10-16(9-8-15(17)11-19)22-12-14-6-4-3-5-7-14/h3-10H,2,12-13H2,1H3
InChIKeyQHAKOWJDEBMSJX-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.08
Rot. Bonds7

About ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate

ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate (PubChem CID 54227701) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate
PubChem CID54227701
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate
SMILESCCOC(=O)COc1cc(OCc2ccccc2)ccc1C#N
InChIInChI=1S/C18H17NO4/c1-2-21-18(20)13-23-17-10-16(9-8-15(17)11-19)22-12-14-6-4-3-5-7-14/h3-10H,2,12-13H2,1H3
InChIKeyQHAKOWJDEBMSJX-UHFFFAOYSA-N
XLogP3.08
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)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

2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
CID 70080910
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
4-phenylmethoxy-2-(propylideneamino)oxybenzonitrile
CID 173309664
ethyl 2-[2-cyano-4-(2-hydroxyethyl)phenoxy]acetate
CID 18620086
benzyl 2-(4-cyano-2-ethoxyphenoxy)acetate
CID 27725620
(4-cyano-2-ethoxyphenyl) 2-(4-phenylmethoxyphenoxy)acetate
CID 8800134
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 2-[2-cyano-4-(trifluoromethyl)phenoxy]acetate
CID 59825201
ethyl 2-[4-phenylmethoxy-2,6-bis(prop-2-enyl)phenoxy]acetate
CID 69312280
ethyl 2-[(6-phenylmethoxynaphthalen-2-yl)methylamino]acetate
CID 86051914
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate?
The IUPAC name of ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate (CID 54227701) is ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate?
The canonical SMILES for ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate is CCOC(=O)COc1cc(OCc2ccccc2)ccc1C#N.
What is the InChIKey of ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate?
The InChIKey is QHAKOWJDEBMSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-21-18(20)13-23-17-10-16(9-8-15(17)11-19)22-12-14-6-4-3-5-7-14/h3-10H,2,12-13H2,1H3.
What are the key properties of ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate?
ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate has a molecular weight of 311.34 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyano-5-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 54227701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).