methyl 3-(3-cyanophenoxy)benzoate

C15H11NO3 — CID 139818102

IUPACmethyl 3-(3-cyanophenoxy)benzoate
SMILESCOC(=O)c1cccc(Oc2cccc(C#N)c2)c1
InChIInChI=1S/C15H11NO3/c1-18-15(17)12-5-3-7-14(9-12)19-13-6-2-4-11(8-13)10-16/h2-9H,1H3
InChIKeyBNUYLYPTVGHOEY-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.14
Rot. Bonds3

About methyl 3-(3-cyanophenoxy)benzoate

methyl 3-(3-cyanophenoxy)benzoate (PubChem CID 139818102) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 3-(3-cyanophenoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-cyanophenoxy)benzoate
PubChem CID139818102
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Namemethyl 3-(3-cyanophenoxy)benzoate
SMILESCOC(=O)c1cccc(Oc2cccc(C#N)c2)c1
InChIInChI=1S/C15H11NO3/c1-18-15(17)12-5-3-7-14(9-12)19-13-6-2-4-11(8-13)10-16/h2-9H,1H3
InChIKeyBNUYLYPTVGHOEY-UHFFFAOYSA-N
XLogP3.14
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-ethynylphenoxy)benzoate
CID 154815146
3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
methyl 3-(2-cyanoethoxy)benzoate
CID 69003479
methyl 3-[2-(N-amino-3-cyanoanilino)-2-oxoethoxy]benzoate
CID 118227640
dimethyl 5-[[2-(3-cyanophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2591381
CID 59716384
CID 59716384
3-(3-ethylphenoxy)benzonitrile
CID 66843456
(3-acetamidophenyl) 3-cyanobenzoate
CID 8874059
methyl 3-acetyloxybenzoate
CID 577969
CID 159558349
CID 159558349
CID 70265363
CID 70265363

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-cyanophenoxy)benzoate?
The IUPAC name of methyl 3-(3-cyanophenoxy)benzoate (CID 139818102) is methyl 3-(3-cyanophenoxy)benzoate.
What is the SMILES notation for methyl 3-(3-cyanophenoxy)benzoate?
The canonical SMILES for methyl 3-(3-cyanophenoxy)benzoate is COC(=O)c1cccc(Oc2cccc(C#N)c2)c1.
What is the InChIKey of methyl 3-(3-cyanophenoxy)benzoate?
The InChIKey is BNUYLYPTVGHOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-18-15(17)12-5-3-7-14(9-12)19-13-6-2-4-11(8-13)10-16/h2-9H,1H3.
What are the key properties of methyl 3-(3-cyanophenoxy)benzoate?
methyl 3-(3-cyanophenoxy)benzoate has a molecular weight of 253.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-cyanophenoxy)benzoate is sourced from PubChem (CID 139818102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).