(2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate

C19H19NO3 — CID 18283031

IUPAC(2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCc1ccccc1C#N
InChIInChI=1S/C19H19NO3/c1-14(2)17-9-5-6-10-18(17)22-13-19(21)23-12-16-8-4-3-7-15(16)11-20/h3-10,14H,12-13H2,1-2H3
InChIKeyQULZWHMYUAARAE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.80
Rot. Bonds6

About (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate

(2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 18283031) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate
PubChem CID18283031
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccccc1OCC(=O)OCc1ccccc1C#N
InChIInChI=1S/C19H19NO3/c1-14(2)17-9-5-6-10-18(17)22-13-19(21)23-12-16-8-4-3-7-15(16)11-20/h3-10,14H,12-13H2,1-2H3
InChIKeyQULZWHMYUAARAE-UHFFFAOYSA-N
XLogP3.80
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyanophenyl)methyl 2-(2-aminophenoxy)acetate
CID 61321397
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903860
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903866
(2-cyanophenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7571220
2-[(2-butan-2-ylphenoxy)methyl]benzonitrile
CID 43080642
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903726
(4-bromo-2,5-dimethoxyphenyl)methyl 2-(2-cyanophenoxy)acetate
CID 9275038
(2-cyanophenyl)methyl carbamate
CID 66644204
(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
CID 7903758
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
CID 4784820

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate (CID 18283031) is (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate is CC(C)c1ccccc1OCC(=O)OCc1ccccc1C#N.
What is the InChIKey of (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is QULZWHMYUAARAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14(2)17-9-5-6-10-18(17)22-13-19(21)23-12-16-8-4-3-7-15(16)11-20/h3-10,14H,12-13H2,1-2H3.
What are the key properties of (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate?
(2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 309.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 18283031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).