2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol

C24H23NO2 — CID 153384624

IUPAC2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol
SMILESOCC(CO)C(c1ccccc1)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H23NO2/c26-16-19(17-27)24(18-9-3-1-4-10-18)22-15-25(20-11-5-2-6-12-20)23-14-8-7-13-21(22)23/h1-15,19,24,26-27H,16-17H2
InChIKeySQEVKVHGGXSZRZ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.36
Rot. Bonds6

About 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol

2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol (PubChem CID 153384624) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol
PubChem CID153384624
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol
SMILESOCC(CO)C(c1ccccc1)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H23NO2/c26-16-19(17-27)24(18-9-3-1-4-10-18)22-15-25(20-11-5-2-6-12-20)23-14-8-7-13-21(22)23/h1-15,19,24,26-27H,16-17H2
InChIKeySQEVKVHGGXSZRZ-UHFFFAOYSA-N
XLogP4.36
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol (CID 153384624) is 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol is OCC(CO)C(c1ccccc1)c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol?
The InChIKey is SQEVKVHGGXSZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c26-16-19(17-27)24(18-9-3-1-4-10-18)22-15-25(20-11-5-2-6-12-20)23-14-8-7-13-21(22)23/h1-15,19,24,26-27H,16-17H2.
What are the key properties of 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol?
2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol has a molecular weight of 357.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-(1-phenylindol-3-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 153384624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).