(1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol

C17H18BrO3P — CID 11903863

IUPAC(1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol
SMILESCO[P@@](=O)(/C=C/c1ccccc1)[C@@](O)(CBr)c1ccccc1
InChIInChI=1S/C17H18BrO3P/c1-21-22(20,13-12-15-8-4-2-5-9-15)17(19,14-18)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3/b13-12+/t17-,22-/m0/s1
InChIKeyCCOABLICFLTEMZ-DVZBKKJASA-N
MW381.21 g/mol
LogP4.82
Rot. Bonds6

About (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol

(1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol (PubChem CID 11903863) has the molecular formula C17H18BrO3P and a molecular weight of 381.21 g/mol. Its IUPAC name is (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol
PubChem CID11903863
Molecular FormulaC17H18BrO3P
Molecular Weight381.21 g/mol
Exact Mass380.02
IUPAC Name(1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol
SMILESCO[P@@](=O)(/C=C/c1ccccc1)[C@@](O)(CBr)c1ccccc1
InChIInChI=1S/C17H18BrO3P/c1-21-22(20,13-12-15-8-4-2-5-9-15)17(19,14-18)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3/b13-12+/t17-,22-/m0/s1
InChIKeyCCOABLICFLTEMZ-DVZBKKJASA-N
XLogP4.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol
CID 11903864
methyl (2S)-3-bromo-2-hydroxy-2-phenylpropanoate
CID 99866628
(1S)-1-dimethoxyphosphoryl-1-phenylpropan-1-ol
CID 125471750
2-chloro-1-dimethoxyphosphoryl-1-phenylethanol
CID 12886121
(R)-(4-bromophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
CID 11902842
(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
CID 13196807
2-bromo-1-[3,3-dimethylbut-1-ynyl(ethoxy)phosphoryl]-1-phenylethanol
CID 3831650
N-[(E,2R,3S)-3-dimethoxyphosphoryl-2-hydroxy-6-phenylhex-5-en-3-yl]acetamide
CID 11024294
(S)-(4-fluorophenyl)-[methoxy-[(E)-2-phenylethenyl]phosphoryl]methanol
CID 11889442
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
2-phenylethenyl(propyl)phosphinic acid
CID 67363439
(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one
CID 10563799

Frequently Asked Questions

What is the IUPAC name of (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol?
The IUPAC name of (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol (CID 11903863) is (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol?
The canonical SMILES for (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol is CO[P@@](=O)(/C=C/c1ccccc1)[C@@](O)(CBr)c1ccccc1.
What is the InChIKey of (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol?
The InChIKey is CCOABLICFLTEMZ-DVZBKKJASA-N. The full InChI is InChI=1S/C17H18BrO3P/c1-21-22(20,13-12-15-8-4-2-5-9-15)17(19,14-18)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3/b13-12+/t17-,22-/m0/s1.
What are the key properties of (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol?
(1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol has a molecular weight of 381.21 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-bromo-1-[methoxy-[(E)-2-phenylethenyl]phosphoryl]-1-phenylethanol is sourced from PubChem (CID 11903863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).