(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol

C11H17O4P — CID 102595949

IUPAC(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
SMILESCOP(=O)(OC)[C@H](O)CCc1ccccc1
InChIInChI=1S/C11H17O4P/c1-14-16(13,15-2)11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWXTUQNSQMXKHCI-NSHDSACASA-N
MW244.23 g/mol
LogP2.42
Rot. Bonds6

About (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol

(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol (PubChem CID 102595949) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
PubChem CID102595949
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol
SMILESCOP(=O)(OC)[C@H](O)CCc1ccccc1
InChIInChI=1S/C11H17O4P/c1-14-16(13,15-2)11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWXTUQNSQMXKHCI-NSHDSACASA-N
XLogP2.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.42
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

1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
[(1S)-1-dimethoxyphosphoryl-3-phenylpropyl] 3-phenylpropanoate
CID 102230089
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
1-dimethoxyphosphoryl-2-phenylethanamine
CID 12504647
1-dimethoxyphosphoryl-3-methoxypropan-1-ol
CID 13339452
(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
CID 125471602
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860

Frequently Asked Questions

What is the IUPAC name of (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol?
The IUPAC name of (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol (CID 102595949) is (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol.
What is the SMILES notation for (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol?
The canonical SMILES for (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol is COP(=O)(OC)[C@H](O)CCc1ccccc1.
What is the InChIKey of (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol?
The InChIKey is WXTUQNSQMXKHCI-NSHDSACASA-N. The full InChI is InChI=1S/C11H17O4P/c1-14-16(13,15-2)11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol?
(1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol has a molecular weight of 244.23 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-dimethoxyphosphoryl-3-phenylpropan-1-ol is sourced from PubChem (CID 102595949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).