[2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol

C25H23NO3 — CID 58066703

IUPAC[2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol
SMILESC=C(c1cccc(-c2cc(CO)c(CO)c(CO)c2)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H23NO3/c1-16(25-12-19-5-2-3-8-24(19)26-25)17-6-4-7-18(9-17)20-10-21(13-27)23(15-29)22(11-20)14-28/h2-12,26-29H,1,13-15H2
InChIKeyULTOXTWGNIYVFB-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.37
Rot. Bonds6

About [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol

[2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol (PubChem CID 58066703) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol
PubChem CID58066703
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name[2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol
SMILESC=C(c1cccc(-c2cc(CO)c(CO)c(CO)c2)c1)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H23NO3/c1-16(25-12-19-5-2-3-8-24(19)26-25)17-6-4-7-18(9-17)20-10-21(13-27)23(15-29)22(11-20)14-28/h2-12,26-29H,1,13-15H2
InChIKeyULTOXTWGNIYVFB-UHFFFAOYSA-N
XLogP4.37
TPSA76.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol?
The IUPAC name of [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol (CID 58066703) is [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol.
What is the SMILES notation for [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol?
The canonical SMILES for [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol is C=C(c1cccc(-c2cc(CO)c(CO)c(CO)c2)c1)c1cc2ccccc2[nH]1.
What is the InChIKey of [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol?
The InChIKey is ULTOXTWGNIYVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-16(25-12-19-5-2-3-8-24(19)26-25)17-6-4-7-18(9-17)20-10-21(13-27)23(15-29)22(11-20)14-28/h2-12,26-29H,1,13-15H2.
What are the key properties of [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol?
[2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol has a molecular weight of 385.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(hydroxymethyl)-5-[3-[1-(1H-indol-2-yl)ethenyl]phenyl]phenyl]methanol is sourced from PubChem (CID 58066703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).