2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone

C16H15BrO3 — CID 141476338

IUPAC2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone
SMILESCCOc1ccc(Oc2ccc(C(=O)CBr)cc2)cc1
InChIInChI=1S/C16H15BrO3/c1-2-19-13-7-9-15(10-8-13)20-14-5-3-12(4-6-14)16(18)11-17/h3-10H,2,11H2,1H3
InChIKeyDECMATHHSDYRPI-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.46
Rot. Bonds6

About 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone

2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone (PubChem CID 141476338) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone
PubChem CID141476338
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone
SMILESCCOc1ccc(Oc2ccc(C(=O)CBr)cc2)cc1
InChIInChI=1S/C16H15BrO3/c1-2-19-13-7-9-15(10-8-13)20-14-5-3-12(4-6-14)16(18)11-17/h3-10H,2,11H2,1H3
InChIKeyDECMATHHSDYRPI-UHFFFAOYSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719
2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone
CID 59341202
3-bromo-1-(4-ethoxyphenyl)propane-1,2-dione
CID 94697053
2-bromo-1-(4-decoxyphenyl)ethanone
CID 13435454
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
2-bromo-1-[4-[3-(diethylamino)propoxy]phenyl]ethanone
CID 86591969
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766
2-bromo-1-[4-(4-nitrophenoxy)phenyl]ethanone
CID 87060508
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
2-(2-aminoethoxy)-1-(4-ethoxyphenyl)ethanone
CID 116590820

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone?
The IUPAC name of 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone (CID 141476338) is 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone?
The canonical SMILES for 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone is CCOc1ccc(Oc2ccc(C(=O)CBr)cc2)cc1.
What is the InChIKey of 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone?
The InChIKey is DECMATHHSDYRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-2-19-13-7-9-15(10-8-13)20-14-5-3-12(4-6-14)16(18)11-17/h3-10H,2,11H2,1H3.
What are the key properties of 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone?
2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone has a molecular weight of 335.20 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-(4-ethoxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 141476338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).