2-[[3-(bromomethyl)phenoxy]methyl]quinoline

C17H14BrNO — CID 43324683

IUPAC2-[[3-(bromomethyl)phenoxy]methyl]quinoline
SMILESBrCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H14BrNO/c18-11-13-4-3-6-16(10-13)20-12-15-9-8-14-5-1-2-7-17(14)19-15/h1-10H,11-12H2
InChIKeyRDPPCNKVWASHAD-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.71
Rot. Bonds4

About 2-[[3-(bromomethyl)phenoxy]methyl]quinoline

2-[[3-(bromomethyl)phenoxy]methyl]quinoline (PubChem CID 43324683) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[[3-(bromomethyl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-(bromomethyl)phenoxy]methyl]quinoline
PubChem CID43324683
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name2-[[3-(bromomethyl)phenoxy]methyl]quinoline
SMILESBrCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H14BrNO/c18-11-13-4-3-6-16(10-13)20-12-15-9-8-14-5-1-2-7-17(14)19-15/h1-10H,11-12H2
InChIKeyRDPPCNKVWASHAD-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.71
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

2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
2-[[4-[[3-(2H-tetrazol-1-ium-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 163467105
2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline
CID 54104151
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
(E)-6-[3-(quinolin-2-ylmethoxy)phenyl]hex-2-enoic acid
CID 139921752
2-[3-[3-(quinolin-2-ylmethoxy)phenyl]propylsulfonyl]acetic acid
CID 139921957
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
CID 19864853
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(bromomethyl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-(bromomethyl)phenoxy]methyl]quinoline (CID 43324683) is 2-[[3-(bromomethyl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-(bromomethyl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-(bromomethyl)phenoxy]methyl]quinoline is BrCc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-(bromomethyl)phenoxy]methyl]quinoline?
The InChIKey is RDPPCNKVWASHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-11-13-4-3-6-16(10-13)20-12-15-9-8-14-5-1-2-7-17(14)19-15/h1-10H,11-12H2.
What are the key properties of 2-[[3-(bromomethyl)phenoxy]methyl]quinoline?
2-[[3-(bromomethyl)phenoxy]methyl]quinoline has a molecular weight of 328.21 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(bromomethyl)phenoxy]methyl]quinoline is sourced from PubChem (CID 43324683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).