(4-cyanophenyl) 2-naphthalen-2-yloxyacetate

C19H13NO3 — CID 4095400

IUPAC(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
SMILESN#Cc1ccc(OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H13NO3/c20-12-14-5-8-17(9-6-14)23-19(21)13-22-18-10-7-15-3-1-2-4-16(15)11-18/h1-11H,13H2
InChIKeySKJBMOOKBLWVHN-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.70
Rot. Bonds4

About (4-cyanophenyl) 2-naphthalen-2-yloxyacetate

(4-cyanophenyl) 2-naphthalen-2-yloxyacetate (PubChem CID 4095400) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is (4-cyanophenyl) 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
PubChem CID4095400
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name(4-cyanophenyl) 2-naphthalen-2-yloxyacetate
SMILESN#Cc1ccc(OC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H13NO3/c20-12-14-5-8-17(9-6-14)23-19(21)13-22-18-10-7-15-3-1-2-4-16(15)11-18/h1-11H,13H2
InChIKeySKJBMOOKBLWVHN-UHFFFAOYSA-N
XLogP3.70
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
CID 4810628
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
(4-cyanophenyl) 2-(2-cyanophenoxy)acetate
CID 4810644
[4-(4-cyanophenyl)phenyl] 2-(3-acetylphenoxy)acetate
CID 7937393
methyl 4-(2-naphthalen-2-yloxyacetyl)oxybenzoate
CID 7956911
(4-cyanophenyl) 2-(3-heptoxyphenoxy)acetate
CID 4733426
naphthalen-2-yl 2-(4-benzoylphenoxy)acetate
CID 7926828
[4-(4-cyanophenyl)phenyl] 2-(4-ethoxyphenoxy)acetate
CID 4222030
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952
[(1R)-1-cyanoethyl] 2-naphthalen-2-yloxyacetate
CID 8821377
[4-(4-cyanophenyl)phenyl] naphthalene-2-carboxylate
CID 3930528
1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate
CID 27148547

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 2-naphthalen-2-yloxyacetate?
The IUPAC name of (4-cyanophenyl) 2-naphthalen-2-yloxyacetate (CID 4095400) is (4-cyanophenyl) 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for (4-cyanophenyl) 2-naphthalen-2-yloxyacetate?
The canonical SMILES for (4-cyanophenyl) 2-naphthalen-2-yloxyacetate is N#Cc1ccc(OC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of (4-cyanophenyl) 2-naphthalen-2-yloxyacetate?
The InChIKey is SKJBMOOKBLWVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c20-12-14-5-8-17(9-6-14)23-19(21)13-22-18-10-7-15-3-1-2-4-16(15)11-18/h1-11H,13H2.
What are the key properties of (4-cyanophenyl) 2-naphthalen-2-yloxyacetate?
(4-cyanophenyl) 2-naphthalen-2-yloxyacetate has a molecular weight of 303.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 4095400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).