(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate

C17H14ClNO3 — CID 8616446

IUPAC(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCc1ccccc1C#N
InChIInChI=1S/C17H14ClNO3/c1-21-16-7-6-15(18)8-14(16)9-17(20)22-11-13-5-3-2-4-12(13)10-19/h2-8H,9,11H2,1H3
InChIKeyBZKDSWPMCNPAPZ-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.51
Rot. Bonds5

About (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate

(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate (PubChem CID 8616446) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
PubChem CID8616446
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
SMILESCOc1ccc(Cl)cc1CC(=O)OCc1ccccc1C#N
InChIInChI=1S/C17H14ClNO3/c1-21-16-7-6-15(18)8-14(16)9-17(20)22-11-13-5-3-2-4-12(13)10-19/h2-8H,9,11H2,1H3
InChIKeyBZKDSWPMCNPAPZ-UHFFFAOYSA-N
XLogP3.51
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyanophenyl)methyl 2,6-dimethoxybenzoate
CID 4784820
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
(2-cyanophenyl)methyl 2-methoxybenzoate
CID 2640366
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
CID 60880021
5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
CID 22661881
[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616393
(2-cyanophenyl)methyl 2-amino-5-chlorobenzoate
CID 60643327
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616387
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 112833774
(2-cyanophenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7571220
2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
CID 24704666
2-[(5-chloro-2-methoxyanilino)methyl]benzonitrile
CID 28578246

Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The IUPAC name of (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate (CID 8616446) is (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate.
What is the SMILES notation for (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The canonical SMILES for (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate is COc1ccc(Cl)cc1CC(=O)OCc1ccccc1C#N.
What is the InChIKey of (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
The InChIKey is BZKDSWPMCNPAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-21-16-7-6-15(18)8-14(16)9-17(20)22-11-13-5-3-2-4-12(13)10-19/h2-8H,9,11H2,1H3.
What are the key properties of (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate?
(2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate has a molecular weight of 315.76 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)methyl 2-(5-chloro-2-methoxyphenyl)acetate is sourced from PubChem (CID 8616446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).