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

C14H11ClN2O — CID 155410694

IUPAC[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol
SMILESOCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C14H11ClN2O/c15-11-5-2-6-12-13(11)14(17-16-12)10-4-1-3-9(7-10)8-18/h1-7,18H,8H2,(H,16,17)
InChIKeyPGUASZOOGKBOIS-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.38
Rot. Bonds2

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

[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol (PubChem CID 155410694) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is [3-(4-chloro-1H-indazol-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol
PubChem CID155410694
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name[3-(4-chloro-1H-indazol-3-yl)phenyl]methanol
SMILESOCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C14H11ClN2O/c15-11-5-2-6-12-13(11)14(17-16-12)10-4-1-3-9(7-10)8-18/h1-7,18H,8H2,(H,16,17)
InChIKeyPGUASZOOGKBOIS-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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Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-1H-indazol-3-yl)phenyl]methanol?
The IUPAC name of [3-(4-chloro-1H-indazol-3-yl)phenyl]methanol (CID 155410694) is [3-(4-chloro-1H-indazol-3-yl)phenyl]methanol.
What is the SMILES notation for [3-(4-chloro-1H-indazol-3-yl)phenyl]methanol?
The canonical SMILES for [3-(4-chloro-1H-indazol-3-yl)phenyl]methanol is OCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1.
What is the InChIKey of [3-(4-chloro-1H-indazol-3-yl)phenyl]methanol?
The InChIKey is PGUASZOOGKBOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-11-5-2-6-12-13(11)14(17-16-12)10-4-1-3-9(7-10)8-18/h1-7,18H,8H2,(H,16,17).
What are the key properties of [3-(4-chloro-1H-indazol-3-yl)phenyl]methanol?
[3-(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 [3-(4-chloro-1H-indazol-3-yl)phenyl]methanol is sourced from PubChem (CID 155410694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).