2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol

C17H19NO3 — CID 59547147

IUPAC2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol
SMILESNc1ccc(/C=C/c2ccc(OC(CO)CO)cc2)cc1
InChIInChI=1S/C17H19NO3/c18-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)21-17(11-19)12-20/h1-10,17,19-20H,11-12,18H2/b2-1+
InChIKeyWVMIQWBAJVGGME-OWOJBTEDSA-N
MW285.34 g/mol
LogP2.17
Rot. Bonds6

About 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol

2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol (PubChem CID 59547147) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol
PubChem CID59547147
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol
SMILESNc1ccc(/C=C/c2ccc(OC(CO)CO)cc2)cc1
InChIInChI=1S/C17H19NO3/c18-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)21-17(11-19)12-20/h1-10,17,19-20H,11-12,18H2/b2-1+
InChIKeyWVMIQWBAJVGGME-OWOJBTEDSA-N
XLogP2.17
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol
CID 59547143
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
4-(1,3-dimethoxypropan-2-yloxy)aniline
CID 129353732
6-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]hexan-1-ol
CID 166905123
4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 59838870
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-[2-(4-aminophenyl)ethenyl]aniline;ethanamine
CID 73474151
4-[(E)-2-[4-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]phenyl]ethenyl](18F)aniline
CID 155928980
4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
CID 69438444
2-[[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]oxy]propane-1,3-diol
CID 59547157
4-(2-phenylethenyl)aniline
CID 13265

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol?
The IUPAC name of 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol (CID 59547147) is 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol.
What is the SMILES notation for 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol?
The canonical SMILES for 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol is Nc1ccc(/C=C/c2ccc(OC(CO)CO)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol?
The InChIKey is WVMIQWBAJVGGME-OWOJBTEDSA-N. The full InChI is InChI=1S/C17H19NO3/c18-15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)21-17(11-19)12-20/h1-10,17,19-20H,11-12,18H2/b2-1+.
What are the key properties of 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol?
2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol has a molecular weight of 285.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol is sourced from PubChem (CID 59547147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).