4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol

C12H12N2O — CID 54847125

IUPAC4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol
SMILESOCc1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C12H12N2O/c15-7-11-10-6-5-8-3-1-2-4-9(8)12(10)14-13-11/h1-4,15H,5-7H2,(H,13,14)
InChIKeyVLCMJASRSHZHKR-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.67
Rot. Bonds1

About 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol

4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol (PubChem CID 54847125) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol.

Molecular Properties

Compound Name4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol
PubChem CID54847125
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol
SMILESOCc1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C12H12N2O/c15-7-11-10-6-5-8-3-1-2-4-9(8)12(10)14-13-11/h1-4,15H,5-7H2,(H,13,14)
InChIKeyVLCMJASRSHZHKR-UHFFFAOYSA-N
XLogP1.67
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol?
The IUPAC name of 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol (CID 54847125) is 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol.
What is the SMILES notation for 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol?
The canonical SMILES for 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol is OCc1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol?
The InChIKey is VLCMJASRSHZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-7-11-10-6-5-8-3-1-2-4-9(8)12(10)14-13-11/h1-4,15H,5-7H2,(H,13,14).
What are the key properties of 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol?
4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol has a molecular weight of 200.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-2H-benzo[g]indazol-3-ylmethanol is sourced from PubChem (CID 54847125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).