(E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol

C19H23O3P — CID 10065210

IUPAC(E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol
SMILESCC(C)/C(=C\[C@H](O)CO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O3P/c1-15(2)19(13-16(21)14-20)23(22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,15-16,20-21H,14H2,1-2H3/b19-13+/t16-/m0/s1
InChIKeyZMJRSHJAVDAIEF-HUCUOGIVSA-N
MW330.36 g/mol
LogP2.89
Rot. Bonds6

About (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol

(E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol (PubChem CID 10065210) has the molecular formula C19H23O3P and a molecular weight of 330.36 g/mol. Its IUPAC name is (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol.

Molecular Properties

Compound Name(E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol
PubChem CID10065210
Molecular FormulaC19H23O3P
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol
SMILESCC(C)/C(=C\[C@H](O)CO)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O3P/c1-15(2)19(13-16(21)14-20)23(22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,15-16,20-21H,14H2,1-2H3/b19-13+/t16-/m0/s1
InChIKeyZMJRSHJAVDAIEF-HUCUOGIVSA-N
XLogP2.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol?
The IUPAC name of (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol (CID 10065210) is (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol.
What is the SMILES notation for (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol?
The canonical SMILES for (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol is CC(C)/C(=C\[C@H](O)CO)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol?
The InChIKey is ZMJRSHJAVDAIEF-HUCUOGIVSA-N. The full InChI is InChI=1S/C19H23O3P/c1-15(2)19(13-16(21)14-20)23(22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,15-16,20-21H,14H2,1-2H3/b19-13+/t16-/m0/s1.
What are the key properties of (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol?
(E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol has a molecular weight of 330.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-4-diphenylphosphoryl-5-methylhex-3-ene-1,2-diol is sourced from PubChem (CID 10065210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).