[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate

C23H19NO4 — CID 31118216

IUPAC[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C23H19NO4/c1-26-21-8-4-5-9-22(21)27-16-23(25)28-15-17-10-12-18(13-11-17)20-7-3-2-6-19(20)14-24/h2-13H,15-16H2,1H3
InChIKeyGSCZGTSNOLZFSO-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.36
Rot. Bonds7

About [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate

[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate (PubChem CID 31118216) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate
PubChem CID31118216
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccccc1OCC(=O)OCc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C23H19NO4/c1-26-21-8-4-5-9-22(21)27-16-23(25)28-15-17-10-12-18(13-11-17)20-7-3-2-6-19(20)14-24/h2-13H,15-16H2,1H3
InChIKeyGSCZGTSNOLZFSO-UHFFFAOYSA-N
XLogP4.36
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate
CID 31119853
[4-(2-cyanophenyl)phenyl]methyl 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46511422
[4-(2-cyanophenyl)phenyl]methyl 2,3,4-trimethoxybenzoate
CID 30290785
(4-nitrophenyl)methyl 2-(2-methoxyphenoxy)acetate
CID 8913485
[4-(2-cyanophenyl)phenyl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 31117812
(4-bromo-2,5-dimethoxyphenyl)methyl 2-(2-cyanophenoxy)acetate
CID 9275038
(3,4,5-trimethoxyphenyl)methyl 2-(2-methoxyphenoxy)acetate
CID 18275421
[4-(2-cyanophenyl)phenyl]methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 55512405
methyl 4-[[2-(2-ethoxyphenoxy)acetyl]oxymethyl]benzoate
CID 23856179
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7605088
[4-(2-cyanophenyl)phenyl]methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46511567
[4-(2-cyanophenyl)phenyl]methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 30292306

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate (CID 31118216) is [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate is COc1ccccc1OCC(=O)OCc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate?
The InChIKey is GSCZGTSNOLZFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-26-21-8-4-5-9-22(21)27-16-23(25)28-15-17-10-12-18(13-11-17)20-7-3-2-6-19(20)14-24/h2-13H,15-16H2,1H3.
What are the key properties of [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate?
[4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate has a molecular weight of 373.41 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyanophenyl)phenyl]methyl 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 31118216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).