3-(8-chloroquinolin-4-yl)phenol

C15H10ClNO — CID 68878761

IUPAC3-(8-chloroquinolin-4-yl)phenol
SMILESOc1cccc(-c2ccnc3c(Cl)cccc23)c1
InChIInChI=1S/C15H10ClNO/c16-14-6-2-5-13-12(7-8-17-15(13)14)10-3-1-4-11(18)9-10/h1-9,18H
InChIKeyMXQSKQDOVKJPOT-UHFFFAOYSA-N
MW255.70 g/mol
LogP4.26
Rot. Bonds1

About 3-(8-chloroquinolin-4-yl)phenol

3-(8-chloroquinolin-4-yl)phenol (PubChem CID 68878761) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-(8-chloroquinolin-4-yl)phenol.

Molecular Properties

Compound Name3-(8-chloroquinolin-4-yl)phenol
PubChem CID68878761
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name3-(8-chloroquinolin-4-yl)phenol
SMILESOc1cccc(-c2ccnc3c(Cl)cccc23)c1
InChIInChI=1S/C15H10ClNO/c16-14-6-2-5-13-12(7-8-17-15(13)14)10-3-1-4-11(18)9-10/h1-9,18H
InChIKeyMXQSKQDOVKJPOT-UHFFFAOYSA-N
XLogP4.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroquinolin-4-yl)phenol?
The IUPAC name of 3-(8-chloroquinolin-4-yl)phenol (CID 68878761) is 3-(8-chloroquinolin-4-yl)phenol.
What is the SMILES notation for 3-(8-chloroquinolin-4-yl)phenol?
The canonical SMILES for 3-(8-chloroquinolin-4-yl)phenol is Oc1cccc(-c2ccnc3c(Cl)cccc23)c1.
What is the InChIKey of 3-(8-chloroquinolin-4-yl)phenol?
The InChIKey is MXQSKQDOVKJPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-14-6-2-5-13-12(7-8-17-15(13)14)10-3-1-4-11(18)9-10/h1-9,18H.
What are the key properties of 3-(8-chloroquinolin-4-yl)phenol?
3-(8-chloroquinolin-4-yl)phenol has a molecular weight of 255.70 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloroquinolin-4-yl)phenol is sourced from PubChem (CID 68878761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).