phenol;bis(prop-2-enoic acid);hydrofluoride

C18H21FO6 — CID 175753146

IUPACphenol;bis(prop-2-enoic acid);hydrofluoride
SMILESC=CC(=O)O.C=CC(=O)O.F.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.2C3H4O2.FH/c2*7-6-4-2-1-3-5-6;2*1-2-3(4)5;/h2*1-5,7H;2*2H,1H2,(H,4,5);1H
InChIKeyUIVUOKHCGVMTLH-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.45
Rot. Bonds2

About phenol;bis(prop-2-enoic acid);hydrofluoride

phenol;bis(prop-2-enoic acid);hydrofluoride (PubChem CID 175753146) has the molecular formula C18H21FO6 and a molecular weight of 352.36 g/mol. Its IUPAC name is phenol;bis(prop-2-enoic acid);hydrofluoride.

Molecular Properties

Compound Namephenol;bis(prop-2-enoic acid);hydrofluoride
PubChem CID175753146
Molecular FormulaC18H21FO6
Molecular Weight352.36 g/mol
Exact Mass352.13
IUPAC Namephenol;bis(prop-2-enoic acid);hydrofluoride
SMILESC=CC(=O)O.C=CC(=O)O.F.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.2C3H4O2.FH/c2*7-6-4-2-1-3-5-6;2*1-2-3(4)5;/h2*1-5,7H;2*2H,1H2,(H,4,5);1H
InChIKeyUIVUOKHCGVMTLH-UHFFFAOYSA-N
XLogP3.45
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene;phenol;prop-2-enoic acid
CID 174875932
oxirane;phenol;bis(prop-2-enoic acid)
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CID 158588762
benzene-1,4-diol;methoxymethane;prop-2-enoic acid
CID 67882333
chloroethene;phenol
CID 19792278
benzene;phenol;prop-1-ene
CID 174830652
benzene;formaldehyde;phenol;hydrate
CID 174789223
prop-2-enoic acid;bis(1,2-xylene)
CID 175543794
prop-2-enoic acid;styrene
CID 160851252
molecular oxygen;phenol
CID 141080591
ethene;phenol
CID 22228706
phenol;trihydrochloride;hydrofluoride
CID 174750798

Frequently Asked Questions

What is the IUPAC name of phenol;bis(prop-2-enoic acid);hydrofluoride?
The IUPAC name of phenol;bis(prop-2-enoic acid);hydrofluoride (CID 175753146) is phenol;bis(prop-2-enoic acid);hydrofluoride.
What is the SMILES notation for phenol;bis(prop-2-enoic acid);hydrofluoride?
The canonical SMILES for phenol;bis(prop-2-enoic acid);hydrofluoride is C=CC(=O)O.C=CC(=O)O.F.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of phenol;bis(prop-2-enoic acid);hydrofluoride?
The InChIKey is UIVUOKHCGVMTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.2C3H4O2.FH/c2*7-6-4-2-1-3-5-6;2*1-2-3(4)5;/h2*1-5,7H;2*2H,1H2,(H,4,5);1H.
What are the key properties of phenol;bis(prop-2-enoic acid);hydrofluoride?
phenol;bis(prop-2-enoic acid);hydrofluoride has a molecular weight of 352.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;bis(prop-2-enoic acid);hydrofluoride is sourced from PubChem (CID 175753146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).