1-(4-bromophenyl)-1-dimethylphosphanylethanol

C10H14BrOP — CID 171643768

IUPAC1-(4-bromophenyl)-1-dimethylphosphanylethanol
SMILESCP(C)C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrOP/c1-10(12,13(2)3)8-4-6-9(11)7-5-8/h4-7,12H,1-3H3
InChIKeyXRGLEVQXQJMSRQ-UHFFFAOYSA-N
MW261.10 g/mol
LogP3.36
Rot. Bonds2

About 1-(4-bromophenyl)-1-dimethylphosphanylethanol

1-(4-bromophenyl)-1-dimethylphosphanylethanol (PubChem CID 171643768) has the molecular formula C10H14BrOP and a molecular weight of 261.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-dimethylphosphanylethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-dimethylphosphanylethanol
PubChem CID171643768
Molecular FormulaC10H14BrOP
Molecular Weight261.10 g/mol
Exact Mass260.00
IUPAC Name1-(4-bromophenyl)-1-dimethylphosphanylethanol
SMILESCP(C)C(C)(O)c1ccc(Br)cc1
InChIInChI=1S/C10H14BrOP/c1-10(12,13(2)3)8-4-6-9(11)7-5-8/h4-7,12H,1-3H3
InChIKeyXRGLEVQXQJMSRQ-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
(4-bromophenyl)-tert-butyl-methylphosphane
CID 23251533
2-(4-bromophenyl)propane-2-thiol
CID 21489042
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
1-(4-bromophenyl)-1-dimethylphosphorylethanol
CID 171643720
1-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802957
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
2-(4-bromophenyl)propan-2-amine;hydroiodide
CID 163210830
1-bromo-4-(1,1-dimethoxyethyl)benzene
CID 10911782
2-(4-bromophenyl)-2-methylpropanal
CID 10013947

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-dimethylphosphanylethanol?
The IUPAC name of 1-(4-bromophenyl)-1-dimethylphosphanylethanol (CID 171643768) is 1-(4-bromophenyl)-1-dimethylphosphanylethanol.
What is the SMILES notation for 1-(4-bromophenyl)-1-dimethylphosphanylethanol?
The canonical SMILES for 1-(4-bromophenyl)-1-dimethylphosphanylethanol is CP(C)C(C)(O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-dimethylphosphanylethanol?
The InChIKey is XRGLEVQXQJMSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrOP/c1-10(12,13(2)3)8-4-6-9(11)7-5-8/h4-7,12H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-1-dimethylphosphanylethanol?
1-(4-bromophenyl)-1-dimethylphosphanylethanol has a molecular weight of 261.10 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-dimethylphosphanylethanol is sourced from PubChem (CID 171643768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).