[hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate

C18H19O6P — CID 174504709

IUPAC[hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate
SMILESCC(C(=O)OP(=O)(O)OCCO)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19O6P/c1-14(18(20)24-25(21,22)23-13-12-19)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,19H,12-13H2,1H3,(H,21,22)
InChIKeyPFPGTRWCSQGSQD-UHFFFAOYSA-N
MW362.32 g/mol
LogP3.16
Rot. Bonds7

About [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate

[hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate (PubChem CID 174504709) has the molecular formula C18H19O6P and a molecular weight of 362.32 g/mol. Its IUPAC name is [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate.

Molecular Properties

Compound Name[hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate
PubChem CID174504709
Molecular FormulaC18H19O6P
Molecular Weight362.32 g/mol
Exact Mass362.09
IUPAC Name[hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate
SMILESCC(C(=O)OP(=O)(O)OCCO)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19O6P/c1-14(18(20)24-25(21,22)23-13-12-19)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,19H,12-13H2,1H3,(H,21,22)
InChIKeyPFPGTRWCSQGSQD-UHFFFAOYSA-N
XLogP3.16
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris(4-methyl-3-oxo-5,5-diphenylpent-4-enyl) phosphate
CID 171762069
2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate
CID 139450592
dimethoxyphosphoryl (Z)-2-methyl-3-phenylbut-2-enoate
CID 67626799
4-[4-benzoyloxybutoxy(hydroxy)phosphoryl]oxybutyl benzoate
CID 139925277
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
1,1-diphenylprop-1-en-2-yl methanesulfonate
CID 135076312
2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate
CID 170686959
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
methyl phenacyl hydrogen phosphate
CID 151367675
benzoyloxy(2-hydroxyethyl)phosphinic acid
CID 175518469
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
1-O-(2-hydroxyethyl) 4-O-[2-[hydroxy-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethoxy]phosphoryl]oxyethyl] benzene-1,4-dicarboxylate
CID 138530108

Frequently Asked Questions

What is the IUPAC name of [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate?
The IUPAC name of [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate (CID 174504709) is [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate.
What is the SMILES notation for [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate?
The canonical SMILES for [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate is CC(C(=O)OP(=O)(O)OCCO)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate?
The InChIKey is PFPGTRWCSQGSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O6P/c1-14(18(20)24-25(21,22)23-13-12-19)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,19H,12-13H2,1H3,(H,21,22).
What are the key properties of [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate?
[hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate has a molecular weight of 362.32 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(2-hydroxyethoxy)phosphoryl] 2-methyl-3,3-diphenylprop-2-enoate is sourced from PubChem (CID 174504709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).