5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid

C17H17NO3 — CID 59595410

IUPAC5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
SMILESCN(C)c1ccc(/C=C/c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C17H17NO3/c1-18(2)14-8-5-12(6-9-14)3-4-13-7-10-16(19)15(11-13)17(20)21/h3-11,19H,1-2H3,(H,20,21)/b4-3+
InChIKeyNRHVLNZJWCOWHV-ONEGZZNKSA-N
MW283.33 g/mol
LogP3.33
Rot. Bonds4

About 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid

5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid (PubChem CID 59595410) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
PubChem CID59595410
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid
SMILESCN(C)c1ccc(/C=C/c2ccc(O)c(C(=O)O)c2)cc1
InChIInChI=1S/C17H17NO3/c1-18(2)14-8-5-12(6-9-14)3-4-13-7-10-16(19)15(11-13)17(20)21/h3-11,19H,1-2H3,(H,20,21)/b4-3+
InChIKeyNRHVLNZJWCOWHV-ONEGZZNKSA-N
XLogP3.33
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 1347
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
5-[2-[4-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]naphthalen-1-yl]ethenyl]-2-hydroxybenzoic acid
CID 54009413
2-hydroxy-5-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 66771929
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 18991498
2-hydroxy-5-[(E)-2-[4-(phenylsulfamoyl)phenyl]ethenyl]benzoic acid
CID 166033666
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
5-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-2-hydroxybenzoic acid
CID 59693534
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-fluoro-N,N-dimethylaniline
CID 168830159

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid (CID 59595410) is 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid is CN(C)c1ccc(/C=C/c2ccc(O)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid?
The InChIKey is NRHVLNZJWCOWHV-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18(2)14-8-5-12(6-9-14)3-4-13-7-10-16(19)15(11-13)17(20)21/h3-11,19H,1-2H3,(H,20,21)/b4-3+.
What are the key properties of 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid?
5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 59595410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).