4-(3-cyano-5-methoxyphenoxy)benzoic acid

C15H11NO4 — CID 103566581

IUPAC4-(3-cyano-5-methoxyphenoxy)benzoic acid
SMILESCOc1cc(C#N)cc(Oc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H11NO4/c1-19-13-6-10(9-16)7-14(8-13)20-12-4-2-11(3-5-12)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyVYEVBNMIWPMDTK-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.06
Rot. Bonds4

About 4-(3-cyano-5-methoxyphenoxy)benzoic acid

4-(3-cyano-5-methoxyphenoxy)benzoic acid (PubChem CID 103566581) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(3-cyano-5-methoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name4-(3-cyano-5-methoxyphenoxy)benzoic acid
PubChem CID103566581
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name4-(3-cyano-5-methoxyphenoxy)benzoic acid
SMILESCOc1cc(C#N)cc(Oc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C15H11NO4/c1-19-13-6-10(9-16)7-14(8-13)20-12-4-2-11(3-5-12)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyVYEVBNMIWPMDTK-UHFFFAOYSA-N
XLogP3.06
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
4-(3-cyano-5-methoxyphenoxy)-2-methylbenzonitrile
CID 103566752
3-methoxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 59649435
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566372
2-(3-cyano-5-methoxyphenoxy)-3-fluorobenzoic acid
CID 103566607
3-(3-cyano-5-methoxyphenoxy)pyridine-4-carboxylic acid
CID 103566591
3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
2-(3-cyano-5-methoxyphenoxy)-2,2-difluoroacetic acid
CID 103566207
benzene-1,2-diamine;4-(3,4-dicyanophenoxy)benzoic acid
CID 174727909

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-5-methoxyphenoxy)benzoic acid?
The IUPAC name of 4-(3-cyano-5-methoxyphenoxy)benzoic acid (CID 103566581) is 4-(3-cyano-5-methoxyphenoxy)benzoic acid.
What is the SMILES notation for 4-(3-cyano-5-methoxyphenoxy)benzoic acid?
The canonical SMILES for 4-(3-cyano-5-methoxyphenoxy)benzoic acid is COc1cc(C#N)cc(Oc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-(3-cyano-5-methoxyphenoxy)benzoic acid?
The InChIKey is VYEVBNMIWPMDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-13-6-10(9-16)7-14(8-13)20-12-4-2-11(3-5-12)15(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(3-cyano-5-methoxyphenoxy)benzoic acid?
4-(3-cyano-5-methoxyphenoxy)benzoic acid has a molecular weight of 269.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-5-methoxyphenoxy)benzoic acid is sourced from PubChem (CID 103566581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).