1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one

C15H12BrClO2 — CID 22998022

IUPAC1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
SMILESO=C(CBr)Cc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClO2/c16-10-13(18)9-11-3-1-2-4-15(11)19-14-7-5-12(17)6-8-14/h1-8H,9-10H2
InChIKeyJLEQSWBXIUGCBP-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.64
Rot. Bonds5

About 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one

1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one (PubChem CID 22998022) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
PubChem CID22998022
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one
SMILESO=C(CBr)Cc1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H12BrClO2/c16-10-13(18)9-11-3-1-2-4-15(11)19-14-7-5-12(17)6-8-14/h1-8H,9-10H2
InChIKeyJLEQSWBXIUGCBP-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.64
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

amino 2-[2-(4-chlorophenoxy)phenyl]acetate
CID 66824654
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
(2S)-2-amino-4-[bis[[2-(4-chlorophenoxy)phenyl]methyl]amino]butanoic acid
CID 127035812
2-[2-(4-methylphenoxy)phenyl]acetyl chloride
CID 173381947
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
1-bromo-3-[4-chloro-2-(fluoromethoxy)phenyl]propan-2-one
CID 134616747
4-bromo-2-[2-(4-chlorophenoxy)phenyl]butan-2-ol
CID 21396557
2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
CID 21078394
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one?
The IUPAC name of 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one (CID 22998022) is 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one?
The canonical SMILES for 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one is O=C(CBr)Cc1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one?
The InChIKey is JLEQSWBXIUGCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c16-10-13(18)9-11-3-1-2-4-15(11)19-14-7-5-12(17)6-8-14/h1-8H,9-10H2.
What are the key properties of 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one?
1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one has a molecular weight of 339.62 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(4-chlorophenoxy)phenyl]propan-2-one is sourced from PubChem (CID 22998022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).