4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol

C16H11Cl2NO — CID 68879203

IUPAC4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol
SMILESCc1cc(-c2cc(O)ccc2Cl)c2cccc(Cl)c2n1
InChIInChI=1S/C16H11Cl2NO/c1-9-7-12(13-8-10(20)5-6-14(13)17)11-3-2-4-15(18)16(11)19-9/h2-8,20H,1H3
InChIKeyUZEPDVXYKFUEGZ-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.22
Rot. Bonds1

About 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol

4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol (PubChem CID 68879203) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol.

Molecular Properties

Compound Name4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol
PubChem CID68879203
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol
SMILESCc1cc(-c2cc(O)ccc2Cl)c2cccc(Cl)c2n1
InChIInChI=1S/C16H11Cl2NO/c1-9-7-12(13-8-10(20)5-6-14(13)17)11-3-2-4-15(18)16(11)19-9/h2-8,20H,1H3
InChIKeyUZEPDVXYKFUEGZ-UHFFFAOYSA-N
XLogP5.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol?
The IUPAC name of 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol (CID 68879203) is 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol.
What is the SMILES notation for 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol?
The canonical SMILES for 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol is Cc1cc(-c2cc(O)ccc2Cl)c2cccc(Cl)c2n1.
What is the InChIKey of 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol?
The InChIKey is UZEPDVXYKFUEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c1-9-7-12(13-8-10(20)5-6-14(13)17)11-3-2-4-15(18)16(11)19-9/h2-8,20H,1H3.
What are the key properties of 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol?
4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol has a molecular weight of 304.18 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(8-chloro-2-methylquinolin-4-yl)phenol is sourced from PubChem (CID 68879203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).