(R)-(3-bromophenyl)-diethoxyphosphorylmethanol

C11H16BrO4P — CID 129391567

IUPAC(R)-(3-bromophenyl)-diethoxyphosphorylmethanol
SMILESCCOP(=O)(OCC)[C@@H](O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrO4P/c1-3-15-17(14,16-4-2)11(13)9-6-5-7-10(12)8-9/h5-8,11,13H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyUPEPPMSDIJYKNW-LLVKDONJSA-N
MW323.12 g/mol
LogP3.71
Rot. Bonds6

About (R)-(3-bromophenyl)-diethoxyphosphorylmethanol

(R)-(3-bromophenyl)-diethoxyphosphorylmethanol (PubChem CID 129391567) has the molecular formula C11H16BrO4P and a molecular weight of 323.12 g/mol. Its IUPAC name is (R)-(3-bromophenyl)-diethoxyphosphorylmethanol.

Molecular Properties

Compound Name(R)-(3-bromophenyl)-diethoxyphosphorylmethanol
PubChem CID129391567
Molecular FormulaC11H16BrO4P
Molecular Weight323.12 g/mol
Exact Mass322.00
IUPAC Name(R)-(3-bromophenyl)-diethoxyphosphorylmethanol
SMILESCCOP(=O)(OCC)[C@@H](O)c1cccc(Br)c1
InChIInChI=1S/C11H16BrO4P/c1-3-15-17(14,16-4-2)11(13)9-6-5-7-10(12)8-9/h5-8,11,13H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyUPEPPMSDIJYKNW-LLVKDONJSA-N
XLogP3.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(3-bromophenyl)-2-diethoxyphosphorylacetate
CID 99866381
N-[(3-bromophenyl)-diethoxyphosphorylmethyl]-3-methylaniline
CID 25227809
(1R)-1-(3-bromophenyl)-2-diethoxyphosphorylethanamine
CID 134967811
(3-bromophenyl)-ethoxymethanol
CID 142187361
[1-(3-bromophenyl)-2,2-difluoroethyl] diethyl phosphate
CID 131866091
(3-bromophenyl)-ethoxyphosphanylmethanol
CID 70811233
(1R,2S)-1-diethoxyphosphoryl-2-(3-methylphenyl)ethane-1,2-diol
CID 23420875
1-[bromo(diethoxyphosphoryl)methyl]-3-methylbenzene
CID 100953017
1-(3-bromophenyl)butan-1-ol
CID 18417756
2-[3-[3-[diethoxyphosphoryl(hydroxy)methyl]phenoxy]propyl]isoindole-1,3-dione
CID 58658740
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
bis(diethoxyphosphoryl)methylbenzene
CID 11132243

Frequently Asked Questions

What is the IUPAC name of (R)-(3-bromophenyl)-diethoxyphosphorylmethanol?
The IUPAC name of (R)-(3-bromophenyl)-diethoxyphosphorylmethanol (CID 129391567) is (R)-(3-bromophenyl)-diethoxyphosphorylmethanol.
What is the SMILES notation for (R)-(3-bromophenyl)-diethoxyphosphorylmethanol?
The canonical SMILES for (R)-(3-bromophenyl)-diethoxyphosphorylmethanol is CCOP(=O)(OCC)[C@@H](O)c1cccc(Br)c1.
What is the InChIKey of (R)-(3-bromophenyl)-diethoxyphosphorylmethanol?
The InChIKey is UPEPPMSDIJYKNW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16BrO4P/c1-3-15-17(14,16-4-2)11(13)9-6-5-7-10(12)8-9/h5-8,11,13H,3-4H2,1-2H3/t11-/m1/s1.
What are the key properties of (R)-(3-bromophenyl)-diethoxyphosphorylmethanol?
(R)-(3-bromophenyl)-diethoxyphosphorylmethanol has a molecular weight of 323.12 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-bromophenyl)-diethoxyphosphorylmethanol is sourced from PubChem (CID 129391567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).