phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate

C13H10F3O3P — CID 159509262

IUPACphosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate
SMILESO=C(Oc1cc(F)c(F)c(F)c1)c1ccc(O)cc1.P
InChIInChI=1S/C13H7F3O3.H3P/c14-10-5-9(6-11(15)12(10)16)19-13(18)7-1-3-8(17)4-2-7;/h1-6,17H;1H3
InChIKeyUYRAKGSCMZBCOY-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.09
Rot. Bonds2

About phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate

phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate (PubChem CID 159509262) has the molecular formula C13H10F3O3P and a molecular weight of 302.19 g/mol. Its IUPAC name is phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate.

Molecular Properties

Compound Namephosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate
PubChem CID159509262
Molecular FormulaC13H10F3O3P
Molecular Weight302.19 g/mol
Exact Mass302.03
IUPAC Namephosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate
SMILESO=C(Oc1cc(F)c(F)c(F)c1)c1ccc(O)cc1.P
InChIInChI=1S/C13H7F3O3.H3P/c14-10-5-9(6-11(15)12(10)16)19-13(18)7-1-3-8(17)4-2-7;/h1-6,17H;1H3
InChIKeyUYRAKGSCMZBCOY-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3,4,5-trifluorophenyl) naphthalene-2-carboxylate
CID 151781841
(3,5-difluoro-4-methylphenyl) 4-[[4-(3,4,5-trifluorophenoxy)carbonylphenyl]methyl]benzoate
CID 145100529
(3,4,5-trifluorophenyl) 4-(2-phenylphenyl)benzoate
CID 141390157
(3,4,5-trifluorophenyl) 4-[[4-[(3,4,5-trifluorophenoxy)methoxymethyl]phenyl]methyl]benzoate
CID 145100540
(3,4,5-trifluorophenyl) 4-(4-propylphenyl)benzoate
CID 19035307
ethane;(2,3,4,5,6-pentafluorophenyl) 4-hydroxybenzoate
CID 143222867
(4-iodophenyl) 3,4,5-trifluorobenzoate
CID 53433266
(3,4,5-trifluorophenyl) 4-[9-[4-(3,5-difluoro-4-phosphanylphenoxy)carbonylphenyl]nonyl]benzoate
CID 130443680
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
(3,4,5-trifluorophenyl) 4-[7-[4-[2-(3,4,5-trifluorophenyl)acetyl]phenyl]heptyl]benzoate
CID 135235097

Frequently Asked Questions

What is the IUPAC name of phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate?
The IUPAC name of phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate (CID 159509262) is phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate.
What is the SMILES notation for phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate?
The canonical SMILES for phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate is O=C(Oc1cc(F)c(F)c(F)c1)c1ccc(O)cc1.P.
What is the InChIKey of phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate?
The InChIKey is UYRAKGSCMZBCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O3.H3P/c14-10-5-9(6-11(15)12(10)16)19-13(18)7-1-3-8(17)4-2-7;/h1-6,17H;1H3.
What are the key properties of phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate?
phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate has a molecular weight of 302.19 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;(3,4,5-trifluorophenyl) 4-hydroxybenzoate is sourced from PubChem (CID 159509262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).