2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol

C24H21NO2 — CID 19689628

IUPAC2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol
SMILESCn1c(/C=C/c2cc(OCc3ccccc3)ccc2O)cc2ccccc21
InChIInChI=1S/C24H21NO2/c1-25-21(15-19-9-5-6-10-23(19)25)12-11-20-16-22(13-14-24(20)26)27-17-18-7-3-2-4-8-18/h2-16,26H,17H2,1H3/b12-11+
InChIKeyKOAQYQRLYQDJLR-VAWYXSNFSA-N
MW355.44 g/mol
LogP5.63
Rot. Bonds5

About 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol

2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol (PubChem CID 19689628) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol
PubChem CID19689628
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol
SMILESCn1c(/C=C/c2cc(OCc3ccccc3)ccc2O)cc2ccccc21
InChIInChI=1S/C24H21NO2/c1-25-21(15-19-9-5-6-10-23(19)25)12-11-20-16-22(13-14-24(20)26)27-17-18-7-3-2-4-8-18/h2-16,26H,17H2,1H3/b12-11+
InChIKeyKOAQYQRLYQDJLR-VAWYXSNFSA-N
XLogP5.63
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol?
The IUPAC name of 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol (CID 19689628) is 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol.
What is the SMILES notation for 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol?
The canonical SMILES for 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol is Cn1c(/C=C/c2cc(OCc3ccccc3)ccc2O)cc2ccccc21.
What is the InChIKey of 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol?
The InChIKey is KOAQYQRLYQDJLR-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H21NO2/c1-25-21(15-19-9-5-6-10-23(19)25)12-11-20-16-22(13-14-24(20)26)27-17-18-7-3-2-4-8-18/h2-16,26H,17H2,1H3/b12-11+.
What are the key properties of 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol?
2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol has a molecular weight of 355.44 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol is sourced from PubChem (CID 19689628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).