3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one

C21H20N2O2 — CID 4080631

IUPAC3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccc(O)cc2)C1
InChIInChI=1S/C21H20N2O2/c1-21(2)12-17-19(18(25)13-21)20(14-8-10-16(24)11-9-14)23(22-17)15-6-4-3-5-7-15/h3-11,24H,12-13H2,1-2H3
InChIKeyIEYUCRZSUAMOGP-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.40
Rot. Bonds2

About 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one

3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one (PubChem CID 4080631) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one
PubChem CID4080631
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccc(O)cc2)C1
InChIInChI=1S/C21H20N2O2/c1-21(2)12-17-19(18(25)13-21)20(14-8-10-16(24)11-9-14)23(22-17)15-6-4-3-5-7-15/h3-11,24H,12-13H2,1-2H3
InChIKeyIEYUCRZSUAMOGP-UHFFFAOYSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one (CID 4080631) is 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccc(O)cc2)C1.
What is the InChIKey of 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one?
The InChIKey is IEYUCRZSUAMOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-21(2)12-17-19(18(25)13-21)20(14-8-10-16(24)11-9-14)23(22-17)15-6-4-3-5-7-15/h3-11,24H,12-13H2,1-2H3.
What are the key properties of 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one?
3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one has a molecular weight of 332.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-6,6-dimethyl-2-phenyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 4080631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).