2-deuterio-4-diphenylphosphorylbutan-1-ol

C16H19O2P — CID 11460046

IUPAC2-deuterio-4-diphenylphosphorylbutan-1-ol
SMILES[2H]C(CO)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c17-13-7-8-14-19(18,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2/i7D
InChIKeyYDKINOSCDDTOHD-WHRKIXHSSA-N
MW275.31 g/mol
LogP2.77
Rot. Bonds6

About 2-deuterio-4-diphenylphosphorylbutan-1-ol

2-deuterio-4-diphenylphosphorylbutan-1-ol (PubChem CID 11460046) has the molecular formula C16H19O2P and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-deuterio-4-diphenylphosphorylbutan-1-ol.

Molecular Properties

Compound Name2-deuterio-4-diphenylphosphorylbutan-1-ol
PubChem CID11460046
Molecular FormulaC16H19O2P
Molecular Weight275.31 g/mol
Exact Mass275.12
IUPAC Name2-deuterio-4-diphenylphosphorylbutan-1-ol
SMILES[2H]C(CO)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19O2P/c17-13-7-8-14-19(18,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2/i7D
InChIKeyYDKINOSCDDTOHD-WHRKIXHSSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.77
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

[(12-diphenylphosphoryl-5,8-dimethylidenedodec-6-ynyl)-phenylphosphoryl]benzene
CID 102002556
[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
1-[4-[butyl(phenyl)phosphoryl]phenyl]ethanone
CID 13301418
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
4-[methyl(phenyl)phosphoryl]butan-1-ol
CID 541481
2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium
CID 139127496
2-diphenylphosphorylethyl(ethoxy)phosphinic acid
CID 102209255
1-diphenylphosphoryl-4-methylpentan-3-ol
CID 11312690
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
2-(3-diphenylphosphorylpropyl)-2-methyl-1,3-dioxolane
CID 13109384
1-phenyl-2-[phenyl-[2-[phenyl-(2-phenylphenyl)phosphoryl]ethyl]phosphoryl]benzene
CID 44634324

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-4-diphenylphosphorylbutan-1-ol?
The IUPAC name of 2-deuterio-4-diphenylphosphorylbutan-1-ol (CID 11460046) is 2-deuterio-4-diphenylphosphorylbutan-1-ol.
What is the SMILES notation for 2-deuterio-4-diphenylphosphorylbutan-1-ol?
The canonical SMILES for 2-deuterio-4-diphenylphosphorylbutan-1-ol is [2H]C(CO)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-deuterio-4-diphenylphosphorylbutan-1-ol?
The InChIKey is YDKINOSCDDTOHD-WHRKIXHSSA-N. The full InChI is InChI=1S/C16H19O2P/c17-13-7-8-14-19(18,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2/i7D.
What are the key properties of 2-deuterio-4-diphenylphosphorylbutan-1-ol?
2-deuterio-4-diphenylphosphorylbutan-1-ol has a molecular weight of 275.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-4-diphenylphosphorylbutan-1-ol is sourced from PubChem (CID 11460046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).