(4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol

C17H15BClNO2 — CID 69337176

IUPAC(4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol
SMILESC=CB(O)c1ccc(Cl)cc1.Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.C8H8BClO/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-9(11)7-3-5-8(10)6-4-7/h1-6,11H;2-6,11H,1H2
InChIKeyYVCQRKIHCHGNAR-UHFFFAOYSA-N
MW311.58 g/mol
LogP3.20
Rot. Bonds2

About (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol

(4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol (PubChem CID 69337176) has the molecular formula C17H15BClNO2 and a molecular weight of 311.58 g/mol. Its IUPAC name is (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol.

Molecular Properties

Compound Name(4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol
PubChem CID69337176
Molecular FormulaC17H15BClNO2
Molecular Weight311.58 g/mol
Exact Mass311.09
IUPAC Name(4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol
SMILESC=CB(O)c1ccc(Cl)cc1.Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.C8H8BClO/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-9(11)7-3-5-8(10)6-4-7/h1-6,11H;2-6,11H,1H2
InChIKeyYVCQRKIHCHGNAR-UHFFFAOYSA-N
XLogP3.20
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.58
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-ethenylborinic acid;quinolin-8-ol
CID 69338089
CID 174914731
CID 174914731
(4-chlorophenyl)-(2,5-difluorophenyl)borinic acid;quinolin-8-ol
CID 69337897
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
zinc quinolin-8-ol
CID 22057723
CID 87330016
CID 87330016
CID 6381061
CID 6381061
methanol;quinolin-8-ol
CID 161490698
oxozinc;quinolin-8-ol
CID 174943156
CID 70016201
CID 70016201
(3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol
CID 69337211

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol?
The IUPAC name of (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol (CID 69337176) is (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol.
What is the SMILES notation for (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol?
The canonical SMILES for (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol is C=CB(O)c1ccc(Cl)cc1.Oc1cccc2cccnc12.
What is the InChIKey of (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol?
The InChIKey is YVCQRKIHCHGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C8H8BClO/c11-8-5-1-3-7-4-2-6-10-9(7)8;1-2-9(11)7-3-5-8(10)6-4-7/h1-6,11H;2-6,11H,1H2.
What are the key properties of (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol?
(4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol has a molecular weight of 311.58 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol is sourced from PubChem (CID 69337176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).