1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone

C14H10BrClO2 — CID 60625595

IUPAC1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
SMILESO=C(COc1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H10BrClO2/c15-11-5-3-4-10(8-11)13(17)9-18-14-7-2-1-6-12(14)16/h1-8H,9H2
InChIKeyZRWABILKHAUZMA-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.36
Rot. Bonds4

About 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone

1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone (PubChem CID 60625595) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
PubChem CID60625595
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
SMILESO=C(COc1ccccc1Cl)c1cccc(Br)c1
InChIInChI=1S/C14H10BrClO2/c15-11-5-3-4-10(8-11)13(17)9-18-14-7-2-1-6-12(14)16/h1-8H,9H2
InChIKeyZRWABILKHAUZMA-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
1-(3-bromophenyl)-2-[(2-chloro-3-pyridinyl)oxy]ethanone
CID 166021386
4-[2-(3-bromophenyl)-2-oxoethoxy]-3-chlorobenzaldehyde
CID 62033108
1-(3-bromophenyl)-2-(2-chloro-4-nitrophenoxy)ethanone
CID 7873660
N-[2-[2-(3-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 43413534
1-(3-bromophenyl)-2-(2-nitrophenoxy)ethanone
CID 7503868
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
2-(4-bromo-2-chlorophenoxy)-1-(2-chlorophenyl)ethanone
CID 60624979
1-(3-bromophenyl)-4-(2-chlorophenyl)butane-1,4-dione
CID 90363452
1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 43413547
2-(3-chloro-2-fluorophenoxy)-1-(3-chlorophenyl)ethanone
CID 116689480
2-(2-bromophenoxy)-1-(3-methoxyphenyl)ethanone
CID 60623809

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone (CID 60625595) is 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone is O=C(COc1ccccc1Cl)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone?
The InChIKey is ZRWABILKHAUZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c15-11-5-3-4-10(8-11)13(17)9-18-14-7-2-1-6-12(14)16/h1-8H,9H2.
What are the key properties of 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone?
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone has a molecular weight of 325.59 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone is sourced from PubChem (CID 60625595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).