3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol

C22H16N2O2 — CID 135464186

IUPAC3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol
SMILESOc1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)ccc3-4)cc2)cc1
InChIInChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
InChIKeyYHNRFNJYCLUDHD-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.73
Rot. Bonds2

About 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol

3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol (PubChem CID 135464186) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol
PubChem CID135464186
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol
SMILESOc1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)ccc3-4)cc2)cc1
InChIInChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
InChIKeyYHNRFNJYCLUDHD-UHFFFAOYSA-N
XLogP4.73
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol?
The IUPAC name of 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol (CID 135464186) is 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol is Oc1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)ccc3-4)cc2)cc1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol?
The InChIKey is YHNRFNJYCLUDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24).
What are the key properties of 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol?
3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol has a molecular weight of 340.38 g/mol, XLogP of 4.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-6-ol is sourced from PubChem (CID 135464186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).