(2-bromophenyl)-dimethoxyphosphorylmethanone

C9H10BrO4P — CID 639026

IUPAC(2-bromophenyl)-dimethoxyphosphorylmethanone
SMILESCOP(=O)(OC)C(=O)c1ccccc1Br
InChIInChI=1S/C9H10BrO4P/c1-13-15(12,14-2)9(11)7-5-3-4-6-8(7)10/h3-6H,1-2H3
InChIKeyZIOWHTFGRJLWAY-UHFFFAOYSA-N
MW293.05 g/mol
LogP3.08
Rot. Bonds4

About (2-bromophenyl)-dimethoxyphosphorylmethanone

(2-bromophenyl)-dimethoxyphosphorylmethanone (PubChem CID 639026) has the molecular formula C9H10BrO4P and a molecular weight of 293.05 g/mol. Its IUPAC name is (2-bromophenyl)-dimethoxyphosphorylmethanone.

Molecular Properties

Compound Name(2-bromophenyl)-dimethoxyphosphorylmethanone
PubChem CID639026
Molecular FormulaC9H10BrO4P
Molecular Weight293.05 g/mol
Exact Mass291.95
IUPAC Name(2-bromophenyl)-dimethoxyphosphorylmethanone
SMILESCOP(=O)(OC)C(=O)c1ccccc1Br
InChIInChI=1S/C9H10BrO4P/c1-13-15(12,14-2)9(11)7-5-3-4-6-8(7)10/h3-6H,1-2H3
InChIKeyZIOWHTFGRJLWAY-UHFFFAOYSA-N
XLogP3.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.05
LogP ≤ 53.08
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

(2,3-dimethoxyphenyl)-dimethoxyphosphorylmethanone
CID 86047213
methyl 2-(2-bromophenyl)-2-oxoacetate
CID 10890094
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
3-[bis(2-methoxyethyl)amino]-1-(2-bromophenyl)propan-1-one
CID 62630046
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
2-(2-bromophenyl)-2-oxoacetate
CID 6999378
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772513
methyl 4-[(2-bromobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 146090075
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
CID 14715010
2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-dimethoxyphosphorylmethanone?
The IUPAC name of (2-bromophenyl)-dimethoxyphosphorylmethanone (CID 639026) is (2-bromophenyl)-dimethoxyphosphorylmethanone.
What is the SMILES notation for (2-bromophenyl)-dimethoxyphosphorylmethanone?
The canonical SMILES for (2-bromophenyl)-dimethoxyphosphorylmethanone is COP(=O)(OC)C(=O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-dimethoxyphosphorylmethanone?
The InChIKey is ZIOWHTFGRJLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrO4P/c1-13-15(12,14-2)9(11)7-5-3-4-6-8(7)10/h3-6H,1-2H3.
What are the key properties of (2-bromophenyl)-dimethoxyphosphorylmethanone?
(2-bromophenyl)-dimethoxyphosphorylmethanone has a molecular weight of 293.05 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-dimethoxyphosphorylmethanone is sourced from PubChem (CID 639026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).