(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone

C17H17BrO3 — CID 107984617

IUPAC(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cccc(C)c1Br
InChIInChI=1S/C17H17BrO3/c1-12-6-5-8-14(16(12)18)17(19)13-7-3-4-9-15(13)21-11-10-20-2/h3-9H,10-11H2,1-2H3
InChIKeyVZCVBAGOSASQPU-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.01
Rot. Bonds6

About (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone

(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 107984617) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID107984617
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cccc(C)c1Br
InChIInChI=1S/C17H17BrO3/c1-12-6-5-8-14(16(12)18)17(19)13-7-3-4-9-15(13)21-11-10-20-2/h3-9H,10-11H2,1-2H3
InChIKeyVZCVBAGOSASQPU-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 116591872
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250
(3-iodophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799933
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659439

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 107984617) is (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1cccc(C)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is VZCVBAGOSASQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-12-6-5-8-14(16(12)18)17(19)13-7-3-4-9-15(13)21-11-10-20-2/h3-9H,10-11H2,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 349.22 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 107984617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).