[1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate

C18H21O5P — CID 70145187

IUPAC[1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CP(O)(O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O5P/c1-14(2)18(19)23-17(15-9-5-3-6-10-15)13-24(20,21,22)16-11-7-4-8-12-16/h3-12,17,20-22H,1,13H2,2H3
InChIKeyPBMUTIJMVBTWCF-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.45
Rot. Bonds6

About [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate

[1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate (PubChem CID 70145187) has the molecular formula C18H21O5P and a molecular weight of 348.34 g/mol. Its IUPAC name is [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate
PubChem CID70145187
Molecular FormulaC18H21O5P
Molecular Weight348.34 g/mol
Exact Mass348.11
IUPAC Name[1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CP(O)(O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21O5P/c1-14(2)18(19)23-17(15-9-5-3-6-10-15)13-24(20,21,22)16-11-7-4-8-12-16/h3-12,17,20-22H,1,13H2,2H3
InChIKeyPBMUTIJMVBTWCF-UHFFFAOYSA-N
XLogP2.45
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
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

(2-nitro-1-phenylethyl) 2-methylprop-2-enoate
CID 70388318
1-phenylnonyl 2-methylprop-2-enoate
CID 22335755
1-phenyldecyl 2-methylprop-2-enoate
CID 140764423
ethane-1,2-diol;1-phenylethyl 2-methylprop-2-enoate
CID 22590329
1,3-dibenzhydryloxypropan-2-yl 2-methylprop-2-enoate
CID 175128575
(1-chloro-1-phenylpropan-2-yl) 2-methylprop-2-enoate
CID 174771336
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
(1-amino-1-phenylpropan-2-yl) 2-methylprop-2-enoate;hydrochloride
CID 173341701
[1-(diethylamino)-1-phenylpropan-2-yl] 2-methylprop-2-enoate
CID 175089651
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[2-(2-methylprop-2-enylperoxy)-2-phenylethyl] 2-methylprop-2-enoate
CID 89014344
1-(4-propylphenyl)propyl 2-methylprop-2-enoate
CID 174497650

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate?
The IUPAC name of [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate (CID 70145187) is [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CP(O)(O)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate?
The InChIKey is PBMUTIJMVBTWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21O5P/c1-14(2)18(19)23-17(15-9-5-3-6-10-15)13-24(20,21,22)16-11-7-4-8-12-16/h3-12,17,20-22H,1,13H2,2H3.
What are the key properties of [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate?
[1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate has a molecular weight of 348.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-2-[trihydroxy(phenyl)-λ5-phosphanyl]ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 70145187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).