4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol

C23H18N2O2 — CID 135566734

IUPAC4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol
SMILESOCc1ccc2c(c1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIInChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)
InChIKeyBERKODPQGRAHDD-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.51
Rot. Bonds3

About 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol

4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol (PubChem CID 135566734) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol
PubChem CID135566734
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol
SMILESOCc1ccc2c(c1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2
InChIInChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)
InChIKeyBERKODPQGRAHDD-UHFFFAOYSA-N
XLogP4.51
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol 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 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol?
The IUPAC name of 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol (CID 135566734) is 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol.
What is the SMILES notation for 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol?
The canonical SMILES for 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol is OCc1ccc2c(c1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2.
What is the InChIKey of 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol?
The InChIKey is BERKODPQGRAHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25).
What are the key properties of 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol?
4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol has a molecular weight of 354.41 g/mol, XLogP of 4.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-(hydroxymethyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol is sourced from PubChem (CID 135566734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).