(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol

C17H21O4P — CID 15447343

IUPAC(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol
SMILESCOP(=O)([C@H](O)c1ccc(C)cc1)[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C17H21O4P/c1-12-4-8-14(9-5-12)16(18)22(20,21-3)17(19)15-10-6-13(2)7-11-15/h4-11,16-19H,1-3H3/t16-,17-/m0/s1
InChIKeyDKUNYZZPZSRKCV-IRXDYDNUSA-N
MW320.33 g/mol
LogP3.91
Rot. Bonds5

About (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol

(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol (PubChem CID 15447343) has the molecular formula C17H21O4P and a molecular weight of 320.33 g/mol. Its IUPAC name is (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol
PubChem CID15447343
Molecular FormulaC17H21O4P
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol
SMILESCOP(=O)([C@H](O)c1ccc(C)cc1)[C@H](O)c1ccc(C)cc1
InChIInChI=1S/C17H21O4P/c1-12-4-8-14(9-5-12)16(18)22(20,21-3)17(19)15-10-6-13(2)7-11-15/h4-11,16-19H,1-3H3/t16-,17-/m0/s1
InChIKeyDKUNYZZPZSRKCV-IRXDYDNUSA-N
XLogP3.91
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-(4-methylphenyl)methyl]phosphonic acid
CID 21265713
(1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol
CID 72715863
[(S)-hydroxy-(4-methylphenyl)methyl]-methoxy-oxophosphanium
CID 10932461
(3R)-1-dimethoxyphosphoryl-3-(4-methylphenyl)butan-1-ol
CID 11391621
diphenylphosphoryl-(4-methylphenyl)methanol
CID 135058741
dimethyl 2-[(S)-dimethoxyphosphoryl-(4-methylphenyl)methyl]propanedioate
CID 101159725
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
CID 15081579
methyl 2-hydroxy-3-(4-methylphenyl)butanoate
CID 66289000
amino-(4-methylphenyl)methanol
CID 70304176
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128

Frequently Asked Questions

What is the IUPAC name of (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol?
The IUPAC name of (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol (CID 15447343) is (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol.
What is the SMILES notation for (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol?
The canonical SMILES for (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol is COP(=O)([C@H](O)c1ccc(C)cc1)[C@H](O)c1ccc(C)cc1.
What is the InChIKey of (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol?
The InChIKey is DKUNYZZPZSRKCV-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H21O4P/c1-12-4-8-14(9-5-12)16(18)22(20,21-3)17(19)15-10-6-13(2)7-11-15/h4-11,16-19H,1-3H3/t16-,17-/m0/s1.
What are the key properties of (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol?
(S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol has a molecular weight of 320.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[[(S)-hydroxy-(4-methylphenyl)methyl]-methoxyphosphoryl]-(4-methylphenyl)methanol is sourced from PubChem (CID 15447343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).