3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol

C17H12ClNO — CID 10039389

IUPAC3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol
SMILESOc1cccc(/C=C/c2ccc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C17H12ClNO/c18-14-6-9-17-13(11-14)5-8-15(19-17)7-4-12-2-1-3-16(20)10-12/h1-11,20H/b7-4+
InChIKeyYQDHOQJDPOLRFL-QPJJXVBHSA-N
MW281.74 g/mol
LogP4.76
Rot. Bonds2

About 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol

3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol (PubChem CID 10039389) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol
PubChem CID10039389
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol
SMILESOc1cccc(/C=C/c2ccc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C17H12ClNO/c18-14-6-9-17-13(11-14)5-8-15(19-17)7-4-12-2-1-3-16(20)10-12/h1-11,20H/b7-4+
InChIKeyYQDHOQJDPOLRFL-QPJJXVBHSA-N
XLogP4.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[2-(6-chloroquinolin-2-yl)ethenyl]phenoxy]butanoic acid
CID 74086910
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinoline
CID 56649871
7-chloro-2-[2-(3-methylphenyl)ethenyl]quinoline
CID 73429919
2-[2-(3-chlorophenyl)ethenyl]quinolin-8-ol
CID 71412917
1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propan-2-ol
CID 77196103
2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinolin-6-ol
CID 137229847
magnesium;3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzonitrile;hydride
CID 173379946
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
7-chloro-2-[2-[3-[2-(oxiran-2-yl)ethenyl]phenyl]ethenyl]quinoline
CID 78107492
(E)-3-[4-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]prop-2-en-1-ol
CID 87897267
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol?
The IUPAC name of 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol (CID 10039389) is 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol is Oc1cccc(/C=C/c2ccc3cc(Cl)ccc3n2)c1.
What is the InChIKey of 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol?
The InChIKey is YQDHOQJDPOLRFL-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-14-6-9-17-13(11-14)5-8-15(19-17)7-4-12-2-1-3-16(20)10-12/h1-11,20H/b7-4+.
What are the key properties of 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol?
3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol has a molecular weight of 281.74 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenol is sourced from PubChem (CID 10039389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).