4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol

C26H30N2O — CID 138507159

IUPAC4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol
SMILESCc1ccc2[nH]ncc2c1C(C)(C)Cc1ccc2c(C(C)(C)C)cc(O)cc2c1
InChIInChI=1S/C26H30N2O/c1-16-7-10-23-21(15-27-28-23)24(16)26(5,6)14-17-8-9-20-18(11-17)12-19(29)13-22(20)25(2,3)4/h7-13,15,29H,14H2,1-6H3,(H,27,28)
InChIKeyBCICKPHPEAWFGR-UHFFFAOYSA-N
MW386.54 g/mol
LogP6.55
Rot. Bonds3

About 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol

4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol (PubChem CID 138507159) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol.

Molecular Properties

Compound Name4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol
PubChem CID138507159
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol
SMILESCc1ccc2[nH]ncc2c1C(C)(C)Cc1ccc2c(C(C)(C)C)cc(O)cc2c1
InChIInChI=1S/C26H30N2O/c1-16-7-10-23-21(15-27-28-23)24(16)26(5,6)14-17-8-9-20-18(11-17)12-19(29)13-22(20)25(2,3)4/h7-13,15,29H,14H2,1-6H3,(H,27,28)
InChIKeyBCICKPHPEAWFGR-UHFFFAOYSA-N
XLogP6.55
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol?
The IUPAC name of 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol (CID 138507159) is 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol.
What is the SMILES notation for 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol?
The canonical SMILES for 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol is Cc1ccc2[nH]ncc2c1C(C)(C)Cc1ccc2c(C(C)(C)C)cc(O)cc2c1.
What is the InChIKey of 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol?
The InChIKey is BCICKPHPEAWFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-16-7-10-23-21(15-27-28-23)24(16)26(5,6)14-17-8-9-20-18(11-17)12-19(29)13-22(20)25(2,3)4/h7-13,15,29H,14H2,1-6H3,(H,27,28).
What are the key properties of 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol?
4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol has a molecular weight of 386.54 g/mol, XLogP of 6.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-[2-methyl-2-(5-methyl-1H-indazol-4-yl)propyl]naphthalen-2-ol is sourced from PubChem (CID 138507159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).