2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol

C24H23NO3 — CID 102503116

IUPAC2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol
SMILESCOc1ccc([C@@](C)(c2ccc(OC)cc2O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23NO3/c1-24(16-8-10-17(27-2)11-9-16,20-13-12-18(28-3)14-23(20)26)21-15-25-22-7-5-4-6-19(21)22/h4-15,25-26H,1-3H3/t24-/m0/s1
InChIKeyNCHMYQQIVTZQRQ-DEOSSOPVSA-N
MW373.45 g/mol
LogP5.24
Rot. Bonds5

About 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol

2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol (PubChem CID 102503116) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol
PubChem CID102503116
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol
SMILESCOc1ccc([C@@](C)(c2ccc(OC)cc2O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H23NO3/c1-24(16-8-10-17(27-2)11-9-16,20-13-12-18(28-3)14-23(20)26)21-15-25-22-7-5-4-6-19(21)22/h4-15,25-26H,1-3H3/t24-/m0/s1
InChIKeyNCHMYQQIVTZQRQ-DEOSSOPVSA-N
XLogP5.24
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol (CID 102503116) is 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol is COc1ccc([C@@](C)(c2ccc(OC)cc2O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol?
The InChIKey is NCHMYQQIVTZQRQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23NO3/c1-24(16-8-10-17(27-2)11-9-16,20-13-12-18(28-3)14-23(20)26)21-15-25-22-7-5-4-6-19(21)22/h4-15,25-26H,1-3H3/t24-/m0/s1.
What are the key properties of 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol?
2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol has a molecular weight of 373.45 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol is sourced from PubChem (CID 102503116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).