2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol

C18H14BrNO2 — CID 4212117

IUPAC2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol
SMILESCOc1cc(C=Cc2ccc3ccccc3n2)cc(Br)c1O
InChIInChI=1S/C18H14BrNO2/c1-22-17-11-12(10-15(19)18(17)21)6-8-14-9-7-13-4-2-3-5-16(13)20-14/h2-11,21H,1H3
InChIKeyIIPZFABYDYKOGW-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.88
Rot. Bonds3

About 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol

2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol (PubChem CID 4212117) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol
PubChem CID4212117
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol
SMILESCOc1cc(C=Cc2ccc3ccccc3n2)cc(Br)c1O
InChIInChI=1S/C18H14BrNO2/c1-22-17-11-12(10-15(19)18(17)21)6-8-14-9-7-13-4-2-3-5-16(13)20-14/h2-11,21H,1H3
InChIKeyIIPZFABYDYKOGW-UHFFFAOYSA-N
XLogP4.88
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol?
The IUPAC name of 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol (CID 4212117) is 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol is COc1cc(C=Cc2ccc3ccccc3n2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol?
The InChIKey is IIPZFABYDYKOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c1-22-17-11-12(10-15(19)18(17)21)6-8-14-9-7-13-4-2-3-5-16(13)20-14/h2-11,21H,1H3.
What are the key properties of 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol?
2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol has a molecular weight of 356.22 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol is sourced from PubChem (CID 4212117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).