acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead

C10H11BrO3Pb — CID 164941966

IUPACacetyloxy-(4-bromo-2,6-dimethylphenoxy)lead
SMILESCC(=O)O[Pb]Oc1c(C)cc(Br)cc1C
InChIInChI=1S/C8H9BrO.C2H4O2.Pb/c1-5-3-7(9)4-6(2)8(5)10;1-2(3)4;/h3-4,10H,1-2H3;1H3,(H,3,4);/q;;+2/p-2
InChIKeyUTAJFCDYJZJJGE-UHFFFAOYSA-L
MW466.30 g/mol
LogP2.54
Rot. Bonds3

About acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead

acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead (PubChem CID 164941966) has the molecular formula C10H11BrO3Pb and a molecular weight of 466.30 g/mol. Its IUPAC name is acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead.

Molecular Properties

Compound Nameacetyloxy-(4-bromo-2,6-dimethylphenoxy)lead
PubChem CID164941966
Molecular FormulaC10H11BrO3Pb
Molecular Weight466.30 g/mol
Exact Mass465.97
IUPAC Nameacetyloxy-(4-bromo-2,6-dimethylphenoxy)lead
SMILESCC(=O)O[Pb]Oc1c(C)cc(Br)cc1C
InChIInChI=1S/C8H9BrO.C2H4O2.Pb/c1-5-3-7(9)4-6(2)8(5)10;1-2(3)4;/h3-4,10H,1-2H3;1H3,(H,3,4);/q;;+2/p-2
InChIKeyUTAJFCDYJZJJGE-UHFFFAOYSA-L
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-chloro-6-methylphenyl) acetate
CID 130685721
(4-bromo-2,6-dimethylphenyl) tert-butyl carbonate
CID 67213327
2-(2,4-dibromo-6-methylphenoxy)acetate
CID 6921474
(2S)-2-(4-bromo-2,6-dimethylphenoxy)propanamide
CID 40771290
1-[5-bromo-3-methyl-2-(trifluoromethoxy)phenyl]ethanone
CID 171000615
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
(4-bromo-2,6-dimethylphenyl) 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3307502
1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene
CID 15454074
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019
(4-bromo-2,6-dimethylphenyl) 3,4-dichlorobenzoate
CID 19181611
(4-bromo-2,6-dimethylphenyl) methanesulfonate
CID 88867193
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390

Frequently Asked Questions

What is the IUPAC name of acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead?
The IUPAC name of acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead (CID 164941966) is acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead.
What is the SMILES notation for acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead?
The canonical SMILES for acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead is CC(=O)O[Pb]Oc1c(C)cc(Br)cc1C.
What is the InChIKey of acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead?
The InChIKey is UTAJFCDYJZJJGE-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H9BrO.C2H4O2.Pb/c1-5-3-7(9)4-6(2)8(5)10;1-2(3)4;/h3-4,10H,1-2H3;1H3,(H,3,4);/q;;+2/p-2.
What are the key properties of acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead?
acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead has a molecular weight of 466.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-(4-bromo-2,6-dimethylphenoxy)lead is sourced from PubChem (CID 164941966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).