1-(4-bromophenyl)-1-dimethylphosphorylethanol

C10H14BrO2P — CID 171643720

IUPAC1-(4-bromophenyl)-1-dimethylphosphorylethanol
SMILESCC(O)(c1ccc(Br)cc1)P(C)(C)=O
InChIInChI=1S/C10H14BrO2P/c1-10(12,14(2,3)13)8-4-6-9(11)7-5-8/h4-7,12H,1-3H3
InChIKeyBPPFXZYRRBYHGN-UHFFFAOYSA-N
MW277.10 g/mol
LogP3.24
Rot. Bonds2

About 1-(4-bromophenyl)-1-dimethylphosphorylethanol

1-(4-bromophenyl)-1-dimethylphosphorylethanol (PubChem CID 171643720) has the molecular formula C10H14BrO2P and a molecular weight of 277.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-dimethylphosphorylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-dimethylphosphorylethanol
PubChem CID171643720
Molecular FormulaC10H14BrO2P
Molecular Weight277.10 g/mol
Exact Mass275.99
IUPAC Name1-(4-bromophenyl)-1-dimethylphosphorylethanol
SMILESCC(O)(c1ccc(Br)cc1)P(C)(C)=O
InChIInChI=1S/C10H14BrO2P/c1-10(12,14(2,3)13)8-4-6-9(11)7-5-8/h4-7,12H,1-3H3
InChIKeyBPPFXZYRRBYHGN-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
2-(4-bromophenyl)-1-diethoxyphosphorylpropan-2-ol
CID 54753286
1-(4-bromophenyl)-1-dimethylphosphanylethanol
CID 171643768
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
2-(4-bromophenyl)-2-methylpropanal
CID 10013947
(4-bromophenyl)-methylphosphinic acid
CID 129135167
2-(4-bromophenyl)propane-2-thiol
CID 21489042
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
[2-(4-bromophenyl)-2-hydroxypropyl] acetate
CID 126832799
N-(2-amino-2-methylpropyl)-4-bromobenzamide
CID 81482664

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-dimethylphosphorylethanol?
The IUPAC name of 1-(4-bromophenyl)-1-dimethylphosphorylethanol (CID 171643720) is 1-(4-bromophenyl)-1-dimethylphosphorylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-dimethylphosphorylethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-dimethylphosphorylethanol is CC(O)(c1ccc(Br)cc1)P(C)(C)=O.
What is the InChIKey of 1-(4-bromophenyl)-1-dimethylphosphorylethanol?
The InChIKey is BPPFXZYRRBYHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrO2P/c1-10(12,14(2,3)13)8-4-6-9(11)7-5-8/h4-7,12H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-dimethylphosphorylethanol?
1-(4-bromophenyl)-1-dimethylphosphorylethanol has a molecular weight of 277.10 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-dimethylphosphorylethanol is sourced from PubChem (CID 171643720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).