[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol

C14H11ClN2O — CID 155410592

IUPAC[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol
SMILESOCc1ccc(-c2n[nH]c3cccc(Cl)c23)cc1
InChIInChI=1S/C14H11ClN2O/c15-11-2-1-3-12-13(11)14(17-16-12)10-6-4-9(8-18)5-7-10/h1-7,18H,8H2,(H,16,17)
InChIKeyGBMCAENVQXOFDM-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.38
Rot. Bonds2

About [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol

[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol (PubChem CID 155410592) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol
PubChem CID155410592
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol
SMILESOCc1ccc(-c2n[nH]c3cccc(Cl)c23)cc1
InChIInChI=1S/C14H11ClN2O/c15-11-2-1-3-12-13(11)14(17-16-12)10-6-4-9(8-18)5-7-10/h1-7,18H,8H2,(H,16,17)
InChIKeyGBMCAENVQXOFDM-UHFFFAOYSA-N
XLogP3.38
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol
CID 155410694
3-(4-chloro-1H-indazol-3-yl)benzamide
CID 118712907
4-methyl-3-(4-methylphenyl)-1H-indazole
CID 173176651
4-chloro-1H-indazole-3-carboxamide
CID 118798094
3-(2-chloro-6-fluorophenyl)-1-[5-(4-chloro-1H-indazol-3-yl)thiophen-3-yl]propan-1-one
CID 147815898
2-(4-chloro-1H-indazol-3-yl)-5,6-dimethyl-1H-benzimidazole
CID 135804648
5-chloro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 14532036
(4-chloro-1H-indazol-3-yl) acetate
CID 70598926
3-(4-fluoranthen-3-ylphenyl)-1H-indazole
CID 148930658
[3-(2,6-dichlorophenyl)-5-fluorophenyl]methanol
CID 118824355
3-(4-ethylphenyl)-1H-pyrazolo[4,3-b]pyridine
CID 121451461
[4-(5-thiophen-3-yl-2H-triazol-4-yl)phenyl]methanol
CID 174977260

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol?
The IUPAC name of [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol (CID 155410592) is [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol?
The canonical SMILES for [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol is OCc1ccc(-c2n[nH]c3cccc(Cl)c23)cc1.
What is the InChIKey of [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol?
The InChIKey is GBMCAENVQXOFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-11-2-1-3-12-13(11)14(17-16-12)10-6-4-9(8-18)5-7-10/h1-7,18H,8H2,(H,16,17).
What are the key properties of [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol?
[4-(4-chloro-1H-indazol-3-yl)phenyl]methanol has a molecular weight of 258.71 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-1H-indazol-3-yl)phenyl]methanol is sourced from PubChem (CID 155410592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).