(4-chlorocinnolin-3-yl)-phenylmethanol

C15H11ClN2O — CID 10890961

IUPAC(4-chlorocinnolin-3-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1nnc2ccccc2c1Cl
InChIInChI=1S/C15H11ClN2O/c16-13-11-8-4-5-9-12(11)17-18-14(13)15(19)10-6-2-1-3-7-10/h1-9,15,19H
InChIKeyNSXHHKQLNBOEMO-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.36
Rot. Bonds2

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

(4-chlorocinnolin-3-yl)-phenylmethanol (PubChem CID 10890961) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is (4-chlorocinnolin-3-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-chlorocinnolin-3-yl)-phenylmethanol
PubChem CID10890961
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name(4-chlorocinnolin-3-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1nnc2ccccc2c1Cl
InChIInChI=1S/C15H11ClN2O/c16-13-11-8-4-5-9-12(11)17-18-14(13)15(19)10-6-2-1-3-7-10/h1-9,15,19H
InChIKeyNSXHHKQLNBOEMO-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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Frequently Asked Questions

What is the IUPAC name of (4-chlorocinnolin-3-yl)-phenylmethanol?
The IUPAC name of (4-chlorocinnolin-3-yl)-phenylmethanol (CID 10890961) is (4-chlorocinnolin-3-yl)-phenylmethanol.
What is the SMILES notation for (4-chlorocinnolin-3-yl)-phenylmethanol?
The canonical SMILES for (4-chlorocinnolin-3-yl)-phenylmethanol is OC(c1ccccc1)c1nnc2ccccc2c1Cl.
What is the InChIKey of (4-chlorocinnolin-3-yl)-phenylmethanol?
The InChIKey is NSXHHKQLNBOEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-11-8-4-5-9-12(11)17-18-14(13)15(19)10-6-2-1-3-7-10/h1-9,15,19H.
What are the key properties of (4-chlorocinnolin-3-yl)-phenylmethanol?
(4-chlorocinnolin-3-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 (4-chlorocinnolin-3-yl)-phenylmethanol is sourced from PubChem (CID 10890961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).