(3-chlorocinnolin-4-yl)-phenylmethanol

C15H11ClN2O — CID 134914584

IUPAC(3-chlorocinnolin-4-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1c(Cl)nnc2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-15-13(14(19)10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-18-15/h1-9,14,19H
InChIKeyGFVBBAQNVMWTET-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.36
Rot. Bonds2

About (3-chlorocinnolin-4-yl)-phenylmethanol

(3-chlorocinnolin-4-yl)-phenylmethanol (PubChem CID 134914584) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is (3-chlorocinnolin-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-chlorocinnolin-4-yl)-phenylmethanol
PubChem CID134914584
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name(3-chlorocinnolin-4-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1c(Cl)nnc2ccccc12
InChIInChI=1S/C15H11ClN2O/c16-15-13(14(19)10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-18-15/h1-9,14,19H
InChIKeyGFVBBAQNVMWTET-UHFFFAOYSA-N
XLogP3.36
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1.2.3.4-Tetrahydroxybutyl]-cinnolin
CID 69552389
7,8,12,12a-Tetrahydronaphtho[2,1-c]cinnolin-8-ol
CID 91304275
1-(4-Chloro-6-fluorocinnolin-3-yl)ethanol
CID 67511359
2-(4-Chloro-6-fluorocinnolin-3-yl)ethanol
CID 67511360
2-(4-Chlorocinnolin-3-yl)propan-2-ol
CID 10082303
(4-Chlorocinnolin-3-yl)-phenylmethanol
CID 10890961
(1R,2S,3R)-1-cinnolin-3-ylbutane-1,2,3,4-tetrol
CID 131875042
1-(3-Chlorocinnolin-4-yl)ethanol
CID 134989771
Cinnolin-3-yl(phenyl)methanol
CID 177851004
(6-Chloro-3-fluoropyridazin-4-yl)-phenylmethanol
CID 21858541
2-(2-Chloro-5-fluorophenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 102623164
2-(2-Chloro-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 102623179

Frequently Asked Questions

What is the IUPAC name of (3-chlorocinnolin-4-yl)-phenylmethanol?
The IUPAC name of (3-chlorocinnolin-4-yl)-phenylmethanol (CID 134914584) is (3-chlorocinnolin-4-yl)-phenylmethanol.
What is the SMILES notation for (3-chlorocinnolin-4-yl)-phenylmethanol?
The canonical SMILES for (3-chlorocinnolin-4-yl)-phenylmethanol is OC(c1ccccc1)c1c(Cl)nnc2ccccc12.
What is the InChIKey of (3-chlorocinnolin-4-yl)-phenylmethanol?
The InChIKey is GFVBBAQNVMWTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-15-13(14(19)10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-18-15/h1-9,14,19H.
What are the key properties of (3-chlorocinnolin-4-yl)-phenylmethanol?
(3-chlorocinnolin-4-yl)-phenylmethanol has a molecular weight of 270.72 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorocinnolin-4-yl)-phenylmethanol is sourced from PubChem (CID 134914584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).