6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one

C12H14BrClO2 — CID 18931145

IUPAC6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one
SMILESO=C(CCCCCBr)c1cc(Cl)ccc1O
InChIInChI=1S/C12H14BrClO2/c13-7-3-1-2-4-11(15)10-8-9(14)5-6-12(10)16/h5-6,8,16H,1-4,7H2
InChIKeyJADIPSWKNVGJAN-UHFFFAOYSA-N
MW305.60 g/mol
LogP4.18
Rot. Bonds6

About 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one

6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one (PubChem CID 18931145) has the molecular formula C12H14BrClO2 and a molecular weight of 305.60 g/mol. Its IUPAC name is 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one.

Molecular Properties

Compound Name6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one
PubChem CID18931145
Molecular FormulaC12H14BrClO2
Molecular Weight305.60 g/mol
Exact Mass303.99
IUPAC Name6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one
SMILESO=C(CCCCCBr)c1cc(Cl)ccc1O
InChIInChI=1S/C12H14BrClO2/c13-7-3-1-2-4-11(15)10-8-9(14)5-6-12(10)16/h5-6,8,16H,1-4,7H2
InChIKeyJADIPSWKNVGJAN-UHFFFAOYSA-N
XLogP4.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-1-(5-chloro-2-hydroxyphenyl)heptan-1-one
CID 18931140
1-(5-chloro-2-hydroxyphenyl)octan-1-one
CID 3917734
1-(5-chloro-2-hydroxyphenyl)-5-(dimethylamino)pentan-1-one
CID 160849157
5-bromo-1-(5-chloro-2-methoxyphenyl)pentan-1-one
CID 146005779
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
CID 12572233
6-bromo-1-(5-chloro-1-methylindol-3-yl)hexan-1-one
CID 54113253
7-amino-1-(2,5-dichlorophenyl)heptan-1-one
CID 116551494
12-bromo-1-(2-hydroxy-4-methylphenyl)dodecan-1-one
CID 11696351
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
5-bromo-1-(3-chloro-4-fluorophenyl)pentan-1-one
CID 146005628
1-(2,5-dihydroxyphenyl)dodecan-1-one
CID 14443793

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one?
The IUPAC name of 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one (CID 18931145) is 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one.
What is the SMILES notation for 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one?
The canonical SMILES for 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one is O=C(CCCCCBr)c1cc(Cl)ccc1O.
What is the InChIKey of 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one?
The InChIKey is JADIPSWKNVGJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO2/c13-7-3-1-2-4-11(15)10-8-9(14)5-6-12(10)16/h5-6,8,16H,1-4,7H2.
What are the key properties of 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one?
6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one has a molecular weight of 305.60 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(5-chloro-2-hydroxyphenyl)hexan-1-one is sourced from PubChem (CID 18931145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).