5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid

C15H9NO5 — CID 53220200

IUPAC5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid
SMILESN#Cc1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)cc1O
InChIInChI=1S/C15H9NO5/c16-7-9-2-1-8(6-13(9)17)10-3-11(14(18)19)5-12(4-10)15(20)21/h1-6,17H,(H,18,19)(H,20,21)
InChIKeySSLXQMGTJVTAHD-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.33
Rot. Bonds3

About 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid

5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid (PubChem CID 53220200) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid
PubChem CID53220200
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid
SMILESN#Cc1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)cc1O
InChIInChI=1S/C15H9NO5/c16-7-9-2-1-8(6-13(9)17)10-3-11(14(18)19)5-12(4-10)15(20)21/h1-6,17H,(H,18,19)(H,20,21)
InChIKeySSLXQMGTJVTAHD-UHFFFAOYSA-N
XLogP2.33
TPSA118.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid (CID 53220200) is 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid is N#Cc1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)cc1O.
What is the InChIKey of 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid?
The InChIKey is SSLXQMGTJVTAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO5/c16-7-9-2-1-8(6-13(9)17)10-3-11(14(18)19)5-12(4-10)15(20)21/h1-6,17H,(H,18,19)(H,20,21).
What are the key properties of 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid?
5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid has a molecular weight of 283.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyano-3-hydroxyphenyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 53220200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).