5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol

C24H23NO2 — CID 102503108

IUPAC5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol
SMILESCOc1ccc([C@](C)(c2ccccc2)c2c[nH]c3ccc(C)cc23)c(O)c1
InChIInChI=1S/C24H23NO2/c1-16-9-12-22-19(13-16)21(15-25-22)24(2,17-7-5-4-6-8-17)20-11-10-18(27-3)14-23(20)26/h4-15,25-26H,1-3H3/t24-/m0/s1
InChIKeyZQUNZHDYXBDAEI-DEOSSOPVSA-N
MW357.45 g/mol
LogP5.54
Rot. Bonds4

About 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol

5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol (PubChem CID 102503108) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol
PubChem CID102503108
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol
SMILESCOc1ccc([C@](C)(c2ccccc2)c2c[nH]c3ccc(C)cc23)c(O)c1
InChIInChI=1S/C24H23NO2/c1-16-9-12-22-19(13-16)21(15-25-22)24(2,17-7-5-4-6-8-17)20-11-10-18(27-3)14-23(20)26/h4-15,25-26H,1-3H3/t24-/m0/s1
InChIKeyZQUNZHDYXBDAEI-DEOSSOPVSA-N
XLogP5.54
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol?
The IUPAC name of 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol (CID 102503108) is 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol?
The canonical SMILES for 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol is COc1ccc([C@](C)(c2ccccc2)c2c[nH]c3ccc(C)cc23)c(O)c1.
What is the InChIKey of 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol?
The InChIKey is ZQUNZHDYXBDAEI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23NO2/c1-16-9-12-22-19(13-16)21(15-25-22)24(2,17-7-5-4-6-8-17)20-11-10-18(27-3)14-23(20)26/h4-15,25-26H,1-3H3/t24-/m0/s1.
What are the key properties of 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol?
5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol has a molecular weight of 357.45 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(1R)-1-(5-methyl-1H-indol-3-yl)-1-phenylethyl]phenol is sourced from PubChem (CID 102503108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).