(1-benzylindazol-3-yl)methanediol

C15H14N2O2 — CID 71016643

IUPAC(1-benzylindazol-3-yl)methanediol
SMILESOC(O)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H14N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9,15,18-19H,10H2
InChIKeyNBGLIUVFIBGIMS-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.07
Rot. Bonds3

About (1-benzylindazol-3-yl)methanediol

(1-benzylindazol-3-yl)methanediol (PubChem CID 71016643) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (1-benzylindazol-3-yl)methanediol.

Molecular Properties

Compound Name(1-benzylindazol-3-yl)methanediol
PubChem CID71016643
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(1-benzylindazol-3-yl)methanediol
SMILESOC(O)c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H14N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9,15,18-19H,10H2
InChIKeyNBGLIUVFIBGIMS-UHFFFAOYSA-N
XLogP2.07
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

sodium 1-benzylindazol-3-olate
CID 23691647
1-benzylindazole-3-carboxylate
CID 22239042
1-benzyl-3-ethynylindazole
CID 87472716
1-benzyl-3-(2-phenylethynyl)indazole
CID 25222067
1-[5-(1-benzylindazol-3-yl)-1,3-thiazol-2-yl]ethanol
CID 21334403
dipotassium;2-(1-benzylindazol-3-yl)oxypropanedioate
CID 46204253
3-(1-benzylindazol-3-yl)propanal
CID 167222160
1-benzyl-3-(3-chloropropoxy)indazole;hydrochloride
CID 71371657
2-[(1-benzylindazol-3-yl)methoxy]propanoic acid
CID 163783717
2-(1-benzylindazol-3-yl)oxyacetamide
CID 57182784
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406

Frequently Asked Questions

What is the IUPAC name of (1-benzylindazol-3-yl)methanediol?
The IUPAC name of (1-benzylindazol-3-yl)methanediol (CID 71016643) is (1-benzylindazol-3-yl)methanediol.
What is the SMILES notation for (1-benzylindazol-3-yl)methanediol?
The canonical SMILES for (1-benzylindazol-3-yl)methanediol is OC(O)c1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (1-benzylindazol-3-yl)methanediol?
The InChIKey is NBGLIUVFIBGIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9,15,18-19H,10H2.
What are the key properties of (1-benzylindazol-3-yl)methanediol?
(1-benzylindazol-3-yl)methanediol has a molecular weight of 254.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindazol-3-yl)methanediol is sourced from PubChem (CID 71016643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).