1-(bromomethyl)-4-dimethylphosphoryloxybenzene

C9H12BrO2P — CID 162183478

IUPAC1-(bromomethyl)-4-dimethylphosphoryloxybenzene
SMILESCP(C)(=O)Oc1ccc(CBr)cc1
InChIInChI=1S/C9H12BrO2P/c1-13(2,11)12-9-5-3-8(7-10)4-6-9/h3-6H,7H2,1-2H3
InChIKeyJGMFYTGFCNXMSK-UHFFFAOYSA-N
MW263.07 g/mol
LogP3.50
Rot. Bonds3

About 1-(bromomethyl)-4-dimethylphosphoryloxybenzene

1-(bromomethyl)-4-dimethylphosphoryloxybenzene (PubChem CID 162183478) has the molecular formula C9H12BrO2P and a molecular weight of 263.07 g/mol. Its IUPAC name is 1-(bromomethyl)-4-dimethylphosphoryloxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-4-dimethylphosphoryloxybenzene
PubChem CID162183478
Molecular FormulaC9H12BrO2P
Molecular Weight263.07 g/mol
Exact Mass261.98
IUPAC Name1-(bromomethyl)-4-dimethylphosphoryloxybenzene
SMILESCP(C)(=O)Oc1ccc(CBr)cc1
InChIInChI=1S/C9H12BrO2P/c1-13(2,11)12-9-5-3-8(7-10)4-6-9/h3-6H,7H2,1-2H3
InChIKeyJGMFYTGFCNXMSK-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloroethyl 2-(4-dimethylphosphoryloxyphenyl)acetate
CID 158113451
1-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 102137908
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
CID 71670381
[4-(fluoromethyl)phenoxy]-methylphosphinate
CID 58798450
[4-(fluoromethyl)phenoxy]-methylphosphinic acid
CID 58798451
1,4-bis(bromomethyl)benzene;methyl formate
CID 174958128
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-(bromomethyl)-4-(4-ethoxyphenoxy)benzene
CID 107086638
1-(bromomethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726492
1-[2-(4-dimethylphosphoryloxyphenyl)propan-2-yl]-4-propan-2-yloxybenzene;ethane
CID 168985818
benzylbenzene;dimethylphosphoryloxybenzene;tris(dimethylphosphoryloxymethane);ethane;triphenyl phosphate;1,3,5-tris(dimethylphosphoryloxy)benzene
CID 158386476
methyl (E)-3-(4-dimethylphosphoryloxyphenyl)-2-methylprop-2-enoate
CID 118603699

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-dimethylphosphoryloxybenzene?
The IUPAC name of 1-(bromomethyl)-4-dimethylphosphoryloxybenzene (CID 162183478) is 1-(bromomethyl)-4-dimethylphosphoryloxybenzene.
What is the SMILES notation for 1-(bromomethyl)-4-dimethylphosphoryloxybenzene?
The canonical SMILES for 1-(bromomethyl)-4-dimethylphosphoryloxybenzene is CP(C)(=O)Oc1ccc(CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-4-dimethylphosphoryloxybenzene?
The InChIKey is JGMFYTGFCNXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrO2P/c1-13(2,11)12-9-5-3-8(7-10)4-6-9/h3-6H,7H2,1-2H3.
What are the key properties of 1-(bromomethyl)-4-dimethylphosphoryloxybenzene?
1-(bromomethyl)-4-dimethylphosphoryloxybenzene has a molecular weight of 263.07 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-dimethylphosphoryloxybenzene is sourced from PubChem (CID 162183478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).