(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

C16H14BrClO3 — CID 115799973

IUPAC(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrClO3/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)11-6-7-13(17)14(18)10-11/h2-7,10H,8-9H2,1H3
InChIKeyUYGNJTDPGCVICU-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.36
Rot. Bonds6

About (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone

(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 115799973) has the molecular formula C16H14BrClO3 and a molecular weight of 369.64 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID115799973
Molecular FormulaC16H14BrClO3
Molecular Weight369.64 g/mol
Exact Mass367.98
IUPAC Name(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H14BrClO3/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)11-6-7-13(17)14(18)10-11/h2-7,10H,8-9H2,1H3
InChIKeyUYGNJTDPGCVICU-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.36
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

(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(4-bromo-3-chlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 115813439
(3-iodophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799933
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
3-bromo-N'-(2-chlorobenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356627
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(4-bromo-3-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657090
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-chlorophenyl)methanone
CID 104657186
(3-chloro-2-methylphenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107101821
(2-amino-4-bromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 116591872
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 115799973) is (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is UYGNJTDPGCVICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO3/c1-20-8-9-21-15-5-3-2-4-12(15)16(19)11-6-7-13(17)14(18)10-11/h2-7,10H,8-9H2,1H3.
What are the key properties of (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 369.64 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 115799973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).