(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol

C14H23O5P — CID 134942131

IUPAC(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
SMILESCCOP(=O)(OCC)[C@H](O)CCOCc1ccccc1
InChIInChI=1S/C14H23O5P/c1-3-18-20(16,19-4-2)14(15)10-11-17-12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-/m0/s1
InChIKeySCHRBPKLPYBLCI-AWEZNQCLSA-N
MW302.31 g/mol
LogP3.18
Rot. Bonds10

About (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol

(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol (PubChem CID 134942131) has the molecular formula C14H23O5P and a molecular weight of 302.31 g/mol. Its IUPAC name is (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
PubChem CID134942131
Molecular FormulaC14H23O5P
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Name(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
SMILESCCOP(=O)(OCC)[C@H](O)CCOCc1ccccc1
InChIInChI=1S/C14H23O5P/c1-3-18-20(16,19-4-2)14(15)10-11-17-12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-/m0/s1
InChIKeySCHRBPKLPYBLCI-AWEZNQCLSA-N
XLogP3.18
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
(4S,5R)-2-diethoxyphosphoryl-5-hydroxy-4-methyl-8-phenylmethoxyoctan-3-one
CID 134863694
(1R)-2-(benzylamino)-1-diethoxyphosphorylethanol
CID 10968155
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455
(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol
CID 102333800
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
(3-diethoxyphosphoryl-3,3-difluoropropoxy)methylbenzene
CID 162539468

Frequently Asked Questions

What is the IUPAC name of (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol?
The IUPAC name of (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol (CID 134942131) is (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol?
The canonical SMILES for (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol is CCOP(=O)(OCC)[C@H](O)CCOCc1ccccc1.
What is the InChIKey of (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol?
The InChIKey is SCHRBPKLPYBLCI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23O5P/c1-3-18-20(16,19-4-2)14(15)10-11-17-12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol?
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol has a molecular weight of 302.31 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 134942131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).