3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol

C21H19NO — CID 67605326

IUPAC3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol
SMILESCc1ccc(Nc2ccc(/C=C/c3cccc(O)c3)cc2)cc1
InChIInChI=1S/C21H19NO/c1-16-5-11-19(12-6-16)22-20-13-9-17(10-14-20)7-8-18-3-2-4-21(23)15-18/h2-15,22-23H,1H3/b8-7+
InChIKeyGPRYODBVVBJLAU-BQYQJAHWSA-N
MW301.39 g/mol
LogP5.61
Rot. Bonds4

About 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol

3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol (PubChem CID 67605326) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol
PubChem CID67605326
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol
SMILESCc1ccc(Nc2ccc(/C=C/c3cccc(O)c3)cc2)cc1
InChIInChI=1S/C21H19NO/c1-16-5-11-19(12-6-16)22-20-13-9-17(10-14-20)7-8-18-3-2-4-21(23)15-18/h2-15,22-23H,1H3/b8-7+
InChIKeyGPRYODBVVBJLAU-BQYQJAHWSA-N
XLogP5.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787
3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phenol
CID 143844914
3-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 67238148
3-[(E)-2-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenol
CID 58342006
N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2,4-dimethylaniline
CID 20813152
3-[(E)-2-bromoethenyl]phenol
CID 74892827
1-iodo-3-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 58915425
3-(4-methoxyanilino)phenol
CID 15574559
3-ethenylphenol;methanol;4-methylphenol
CID 144866816
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol?
The IUPAC name of 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol (CID 67605326) is 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol is Cc1ccc(Nc2ccc(/C=C/c3cccc(O)c3)cc2)cc1.
What is the InChIKey of 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol?
The InChIKey is GPRYODBVVBJLAU-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H19NO/c1-16-5-11-19(12-6-16)22-20-13-9-17(10-14-20)7-8-18-3-2-4-21(23)15-18/h2-15,22-23H,1H3/b8-7+.
What are the key properties of 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol?
3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol has a molecular weight of 301.39 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol is sourced from PubChem (CID 67605326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).