3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol

C25H28O3 — CID 173039562

IUPAC3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol
SMILESCC(CO)Cc1ccccc1-c1ccc(-c2cccc(CO)c2)c(CCO)c1
InChIInChI=1S/C25H28O3/c1-18(16-27)13-20-6-2-3-8-24(20)22-9-10-25(23(15-22)11-12-26)21-7-4-5-19(14-21)17-28/h2-10,14-15,18,26-28H,11-13,16-17H2,1H3
InChIKeyPPEBROCZIDWNMC-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.22
Rot. Bonds8

About 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol

3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol (PubChem CID 173039562) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol
PubChem CID173039562
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol
SMILESCC(CO)Cc1ccccc1-c1ccc(-c2cccc(CO)c2)c(CCO)c1
InChIInChI=1S/C25H28O3/c1-18(16-27)13-20-6-2-3-8-24(20)22-9-10-25(23(15-22)11-12-26)21-7-4-5-19(14-21)17-28/h2-10,14-15,18,26-28H,11-13,16-17H2,1H3
InChIKeyPPEBROCZIDWNMC-UHFFFAOYSA-N
XLogP4.22
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol (CID 173039562) is 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol is CC(CO)Cc1ccccc1-c1ccc(-c2cccc(CO)c2)c(CCO)c1.
What is the InChIKey of 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol?
The InChIKey is PPEBROCZIDWNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3/c1-18(16-27)13-20-6-2-3-8-24(20)22-9-10-25(23(15-22)11-12-26)21-7-4-5-19(14-21)17-28/h2-10,14-15,18,26-28H,11-13,16-17H2,1H3.
What are the key properties of 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol?
3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol has a molecular weight of 376.50 g/mol, XLogP of 4.22, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-hydroxyethyl)-4-[3-(hydroxymethyl)phenyl]phenyl]phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 173039562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).