3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol

C15H16N2O2 — CID 155753497

IUPAC3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol
SMILESCOc1c2cc(O)c3ccccc3c2nn1C(C)C
InChIInChI=1S/C15H16N2O2/c1-9(2)17-15(19-3)12-8-13(18)10-6-4-5-7-11(10)14(12)16-17/h4-9,18H,1-3H3
InChIKeyPTBJKVXQEQMKTE-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.48
Rot. Bonds2

About 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol

3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol (PubChem CID 155753497) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol.

Molecular Properties

Compound Name3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol
PubChem CID155753497
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol
SMILESCOc1c2cc(O)c3ccccc3c2nn1C(C)C
InChIInChI=1S/C15H16N2O2/c1-9(2)17-15(19-3)12-8-13(18)10-6-4-5-7-11(10)14(12)16-17/h4-9,18H,1-3H3
InChIKeyPTBJKVXQEQMKTE-UHFFFAOYSA-N
XLogP3.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol?
The IUPAC name of 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol (CID 155753497) is 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol.
What is the SMILES notation for 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol?
The canonical SMILES for 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol is COc1c2cc(O)c3ccccc3c2nn1C(C)C.
What is the InChIKey of 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol?
The InChIKey is PTBJKVXQEQMKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9(2)17-15(19-3)12-8-13(18)10-6-4-5-7-11(10)14(12)16-17/h4-9,18H,1-3H3.
What are the key properties of 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol?
3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol has a molecular weight of 256.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-propan-2-ylbenzo[g]indazol-5-ol is sourced from PubChem (CID 155753497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).