(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol

C17H19O3P — CID 10063472

IUPAC(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol
SMILESC/C(=C/P(=O)(c1ccccc1)c1ccccc1)[C@@H](O)CO
InChIInChI=1S/C17H19O3P/c1-14(17(19)12-18)13-21(20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13,17-19H,12H2,1H3/b14-13-/t17-/m0/s1
InChIKeyNTLYEKXTPHHRRT-NJWFCXLTSA-N
MW302.31 g/mol
LogP2.26
Rot. Bonds5

About (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol

(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol (PubChem CID 10063472) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol.

Molecular Properties

Compound Name(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol
PubChem CID10063472
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol
SMILESC/C(=C/P(=O)(c1ccccc1)c1ccccc1)[C@@H](O)CO
InChIInChI=1S/C17H19O3P/c1-14(17(19)12-18)13-21(20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13,17-19H,12H2,1H3/b14-13-/t17-/m0/s1
InChIKeyNTLYEKXTPHHRRT-NJWFCXLTSA-N
XLogP2.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.26
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 (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol?
The IUPAC name of (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol (CID 10063472) is (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol.
What is the SMILES notation for (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol?
The canonical SMILES for (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol is C/C(=C/P(=O)(c1ccccc1)c1ccccc1)[C@@H](O)CO.
What is the InChIKey of (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol?
The InChIKey is NTLYEKXTPHHRRT-NJWFCXLTSA-N. The full InChI is InChI=1S/C17H19O3P/c1-14(17(19)12-18)13-21(20,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13,17-19H,12H2,1H3/b14-13-/t17-/m0/s1.
What are the key properties of (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol?
(Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol has a molecular weight of 302.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-4-diphenylphosphoryl-3-methylbut-3-ene-1,2-diol is sourced from PubChem (CID 10063472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).