(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

C16H14Br2O3 — CID 107977350

IUPAC(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H14Br2O3/c1-20-6-7-21-15-5-3-2-4-14(15)16(19)11-8-12(17)10-13(18)9-11/h2-5,8-10H,6-7H2,1H3
InChIKeyWNUUKSWRDQLWJP-UHFFFAOYSA-N
MW414.09 g/mol
LogP4.47
Rot. Bonds6

About (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 107977350) has the molecular formula C16H14Br2O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID107977350
Molecular FormulaC16H14Br2O3
Molecular Weight414.09 g/mol
Exact Mass411.93
IUPAC Name(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H14Br2O3/c1-20-6-7-21-15-5-3-2-4-14(15)16(19)11-8-12(17)10-13(18)9-11/h2-5,8-10H,6-7H2,1H3
InChIKeyWNUUKSWRDQLWJP-UHFFFAOYSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 54.47
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-bromo-5-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800762
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973
(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 116591872
(3-iodophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799933
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(2-bromo-3-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107984617
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128321
phenyl-(2-propoxyphenyl)methanone
CID 15556308
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 107977350) is (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is WNUUKSWRDQLWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O3/c1-20-6-7-21-15-5-3-2-4-14(15)16(19)11-8-12(17)10-13(18)9-11/h2-5,8-10H,6-7H2,1H3.
What are the key properties of (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 414.09 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 107977350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).