2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol

C24H21NO2 — CID 86191740

IUPAC2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol
SMILESCn1c(C=Cc2ccc(OCc3ccccc3)cc2O)cc2ccccc21
InChIInChI=1S/C24H21NO2/c1-25-21(15-20-9-5-6-10-23(20)25)13-11-19-12-14-22(16-24(19)26)27-17-18-7-3-2-4-8-18/h2-16,26H,17H2,1H3
InChIKeyYUVDIRBWUBRMSO-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.63
Rot. Bonds5

About 2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol

2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol (PubChem CID 86191740) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol
PubChem CID86191740
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol
SMILESCn1c(C=Cc2ccc(OCc3ccccc3)cc2O)cc2ccccc21
InChIInChI=1S/C24H21NO2/c1-25-21(15-20-9-5-6-10-23(20)25)13-11-19-12-14-22(16-24(19)26)27-17-18-7-3-2-4-8-18/h2-16,26H,17H2,1H3
InChIKeyYUVDIRBWUBRMSO-UHFFFAOYSA-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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Related Compounds

2-[(E)-2-(1-methylindol-2-yl)ethenyl]-4-phenylmethoxyphenol
CID 19689628
4-fluoro-2-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol
CID 19689621
3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol
CID 86191765
3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826440
4-[3-hydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828428
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one
CID 118108345
1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide
CID 110526774
ethyl (E)-3-[1-(2-hydroxyethyl)-5-phenylmethoxyindol-2-yl]prop-2-enoate
CID 66853707
1-(2,4-dimethoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826677
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol?
The IUPAC name of 2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol (CID 86191740) is 2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol?
The canonical SMILES for 2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol is Cn1c(C=Cc2ccc(OCc3ccccc3)cc2O)cc2ccccc21.
What is the InChIKey of 2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol?
The InChIKey is YUVDIRBWUBRMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-25-21(15-20-9-5-6-10-23(20)25)13-11-19-12-14-22(16-24(19)26)27-17-18-7-3-2-4-8-18/h2-16,26H,17H2,1H3.
What are the key properties of 2-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol?
2-[2-(1-methylindol-2-yl)ethenyl]-5-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-[2-(1-methylindol-2-yl)ethenyl]-5-phenylmethoxyphenol is sourced from PubChem (CID 86191740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).