2-methylprop-2-enoic acid;phenol;hydrofluoride

C16H19FO4 — CID 174940878

IUPAC2-methylprop-2-enoic acid;phenol;hydrofluoride
SMILESC=C(C)C(=O)O.F.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C4H6O2.FH/c2*7-6-4-2-1-3-5-6;1-3(2)4(5)6;/h2*1-5,7H;1H2,2H3,(H,5,6);1H
InChIKeyFFAUUHLAKHKKHS-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.58
Rot. Bonds1

About 2-methylprop-2-enoic acid;phenol;hydrofluoride

2-methylprop-2-enoic acid;phenol;hydrofluoride (PubChem CID 174940878) has the molecular formula C16H19FO4 and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;phenol;hydrofluoride.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;phenol;hydrofluoride
PubChem CID174940878
Molecular FormulaC16H19FO4
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name2-methylprop-2-enoic acid;phenol;hydrofluoride
SMILESC=C(C)C(=O)O.F.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C4H6O2.FH/c2*7-6-4-2-1-3-5-6;1-3(2)4(5)6;/h2*1-5,7H;1H2,2H3,(H,5,6);1H
InChIKeyFFAUUHLAKHKKHS-UHFFFAOYSA-N
XLogP3.58
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175548516
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CID 174864090
phenol;propan-2-one;hydrate
CID 161159865
benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)
CID 67862171
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919
2-methylprop-2-enoic acid;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
CID 88725230
2-methylprop-2-enoic acid;triphenylphosphane
CID 173320900
2-methylidenebutanoic acid;phenol;hydrate
CID 158804771
benzene-1,4-diol;2,2-bis(hydroxymethyl)propane-1,3-diol;hexakis(2-methylprop-2-enoic acid)
CID 67645342
benzene;formaldehyde;phenol;hydrate
CID 174789223

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;phenol;hydrofluoride?
The IUPAC name of 2-methylprop-2-enoic acid;phenol;hydrofluoride (CID 174940878) is 2-methylprop-2-enoic acid;phenol;hydrofluoride.
What is the SMILES notation for 2-methylprop-2-enoic acid;phenol;hydrofluoride?
The canonical SMILES for 2-methylprop-2-enoic acid;phenol;hydrofluoride is C=C(C)C(=O)O.F.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;phenol;hydrofluoride?
The InChIKey is FFAUUHLAKHKKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.C4H6O2.FH/c2*7-6-4-2-1-3-5-6;1-3(2)4(5)6;/h2*1-5,7H;1H2,2H3,(H,5,6);1H.
What are the key properties of 2-methylprop-2-enoic acid;phenol;hydrofluoride?
2-methylprop-2-enoic acid;phenol;hydrofluoride has a molecular weight of 294.32 g/mol, XLogP of 3.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;phenol;hydrofluoride is sourced from PubChem (CID 174940878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).