7-[2-(bromomethyl)phenoxy]quinoline

C16H12BrNO — CID 107314164

IUPAC7-[2-(bromomethyl)phenoxy]quinoline
SMILESBrCc1ccccc1Oc1ccc2cccnc2c1
InChIInChI=1S/C16H12BrNO/c17-11-13-4-1-2-6-16(13)19-14-8-7-12-5-3-9-18-15(12)10-14/h1-10H,11H2
InChIKeyBZRZXHXYKAXJQQ-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.92
Rot. Bonds3

About 7-[2-(bromomethyl)phenoxy]quinoline

7-[2-(bromomethyl)phenoxy]quinoline (PubChem CID 107314164) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 7-[2-(bromomethyl)phenoxy]quinoline.

Molecular Properties

Compound Name7-[2-(bromomethyl)phenoxy]quinoline
PubChem CID107314164
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name7-[2-(bromomethyl)phenoxy]quinoline
SMILESBrCc1ccccc1Oc1ccc2cccnc2c1
InChIInChI=1S/C16H12BrNO/c17-11-13-4-1-2-6-16(13)19-14-8-7-12-5-3-9-18-15(12)10-14/h1-10H,11H2
InChIKeyBZRZXHXYKAXJQQ-UHFFFAOYSA-N
XLogP4.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[4-(bromomethyl)-2-chlorophenoxy]quinoline
CID 107314175
7-[5-bromo-2-(chloromethyl)phenoxy]quinoline
CID 107314156
7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline
CID 107314168
2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine
CID 107315464
6-[[2-(bromomethyl)phenoxy]methyl]quinoline
CID 43324575
5-iodo-2-quinolin-7-yloxyaniline
CID 107313234
7-pyridin-4-yloxyquinoline
CID 141187990
7-[(2-chlorophenyl)methoxy]quinoline
CID 91807412
(1R)-1-(3-bromo-4-quinolin-7-yloxyphenyl)ethanol
CID 107314104
7-[2-chloro-4-(chloromethyl)phenoxy]quinoline
CID 107314157
2-fluoro-6-quinolin-7-yloxybenzonitrile
CID 107313648
7-[4-(chloromethyl)-2-fluorophenoxy]quinoline
CID 107314176

Frequently Asked Questions

What is the IUPAC name of 7-[2-(bromomethyl)phenoxy]quinoline?
The IUPAC name of 7-[2-(bromomethyl)phenoxy]quinoline (CID 107314164) is 7-[2-(bromomethyl)phenoxy]quinoline.
What is the SMILES notation for 7-[2-(bromomethyl)phenoxy]quinoline?
The canonical SMILES for 7-[2-(bromomethyl)phenoxy]quinoline is BrCc1ccccc1Oc1ccc2cccnc2c1.
What is the InChIKey of 7-[2-(bromomethyl)phenoxy]quinoline?
The InChIKey is BZRZXHXYKAXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-11-13-4-1-2-6-16(13)19-14-8-7-12-5-3-9-18-15(12)10-14/h1-10H,11H2.
What are the key properties of 7-[2-(bromomethyl)phenoxy]quinoline?
7-[2-(bromomethyl)phenoxy]quinoline has a molecular weight of 314.18 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(bromomethyl)phenoxy]quinoline is sourced from PubChem (CID 107314164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).