(3-bromophenyl) dimethyl phosphate

C8H10BrO4P — CID 526167

IUPAC(3-bromophenyl) dimethyl phosphate
SMILESCOP(=O)(OC)Oc1cccc(Br)c1
InChIInChI=1S/C8H10BrO4P/c1-11-14(10,12-2)13-8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyJVTOXSUYRIBMHP-UHFFFAOYSA-N
MW281.04 g/mol
LogP3.23
Rot. Bonds4

About (3-bromophenyl) dimethyl phosphate

(3-bromophenyl) dimethyl phosphate (PubChem CID 526167) has the molecular formula C8H10BrO4P and a molecular weight of 281.04 g/mol. Its IUPAC name is (3-bromophenyl) dimethyl phosphate.

Molecular Properties

Compound Name(3-bromophenyl) dimethyl phosphate
PubChem CID526167
Molecular FormulaC8H10BrO4P
Molecular Weight281.04 g/mol
Exact Mass279.95
IUPAC Name(3-bromophenyl) dimethyl phosphate
SMILESCOP(=O)(OC)Oc1cccc(Br)c1
InChIInChI=1S/C8H10BrO4P/c1-11-14(10,12-2)13-8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyJVTOXSUYRIBMHP-UHFFFAOYSA-N
XLogP3.23
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.04
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-bromophenoxy)-methylphosphinic acid
CID 174796798
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
(4-bromophenyl) bis(3-methylphenyl) phosphate
CID 6426555
(4-bromophenyl) (4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426569
1-bromo-3-(diethoxyphosphorylmethoxy)benzene
CID 156817200
(3-bromophenyl) formate
CID 23207322
(3-fluorophenyl) diphenyl phosphate
CID 154131589
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
CID 57202540
CID 57202540
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
1-bromo-3-ethoxybenzene;ethane
CID 143900364

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl) dimethyl phosphate?
The IUPAC name of (3-bromophenyl) dimethyl phosphate (CID 526167) is (3-bromophenyl) dimethyl phosphate.
What is the SMILES notation for (3-bromophenyl) dimethyl phosphate?
The canonical SMILES for (3-bromophenyl) dimethyl phosphate is COP(=O)(OC)Oc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl) dimethyl phosphate?
The InChIKey is JVTOXSUYRIBMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrO4P/c1-11-14(10,12-2)13-8-5-3-4-7(9)6-8/h3-6H,1-2H3.
What are the key properties of (3-bromophenyl) dimethyl phosphate?
(3-bromophenyl) dimethyl phosphate has a molecular weight of 281.04 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl) dimethyl phosphate is sourced from PubChem (CID 526167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).