2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone

C18H12BrClO2 — CID 4213919

IUPAC2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
SMILESO=C(COc1ccc2cc(Br)ccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12BrClO2/c19-15-5-1-14-10-17(8-4-13(14)9-15)22-11-18(21)12-2-6-16(20)7-3-12/h1-10H,11H2
InChIKeyQGSFEMSYMZNCBM-UHFFFAOYSA-N
MW375.65 g/mol
LogP5.52
Rot. Bonds4

About 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone

2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone (PubChem CID 4213919) has the molecular formula C18H12BrClO2 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
PubChem CID4213919
Molecular FormulaC18H12BrClO2
Molecular Weight375.65 g/mol
Exact Mass373.97
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
SMILESO=C(COc1ccc2cc(Br)ccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12BrClO2/c19-15-5-1-14-10-17(8-4-13(14)9-15)22-11-18(21)12-2-6-16(20)7-3-12/h1-10H,11H2
InChIKeyQGSFEMSYMZNCBM-UHFFFAOYSA-N
XLogP5.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.65
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
1-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 8022199
1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60722971
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
4-bromo-N-[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]benzamide
CID 19644940
1-(3-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 43413547
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
1-(4-chlorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)ethanone
CID 43411846
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone (CID 4213919) is 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone is O=C(COc1ccc2cc(Br)ccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone?
The InChIKey is QGSFEMSYMZNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClO2/c19-15-5-1-14-10-17(8-4-13(14)9-15)22-11-18(21)12-2-6-16(20)7-3-12/h1-10H,11H2.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone?
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone has a molecular weight of 375.65 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 4213919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).