bis(2-methylprop-2-enoic acid);phenol

C14H18O5 — CID 22034397

IUPACbis(2-methylprop-2-enoic acid);phenol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.2C4H6O2/c7-6-4-2-1-3-5-6;2*1-3(2)4(5)6/h1-5,7H;2*1H2,2H3,(H,5,6)
InChIKeySKESERDUDQOXKM-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.69
Rot. Bonds2

About bis(2-methylprop-2-enoic acid);phenol

bis(2-methylprop-2-enoic acid);phenol (PubChem CID 22034397) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is bis(2-methylprop-2-enoic acid);phenol.

Molecular Properties

Compound Namebis(2-methylprop-2-enoic acid);phenol
PubChem CID22034397
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namebis(2-methylprop-2-enoic acid);phenol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.2C4H6O2/c7-6-4-2-1-3-5-6;2*1-3(2)4(5)6/h1-5,7H;2*1H2,2H3,(H,5,6)
InChIKeySKESERDUDQOXKM-UHFFFAOYSA-N
XLogP2.69
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoic acid);phenol?
The IUPAC name of bis(2-methylprop-2-enoic acid);phenol (CID 22034397) is bis(2-methylprop-2-enoic acid);phenol.
What is the SMILES notation for bis(2-methylprop-2-enoic acid);phenol?
The canonical SMILES for bis(2-methylprop-2-enoic acid);phenol is C=C(C)C(=O)O.C=C(C)C(=O)O.Oc1ccccc1.
What is the InChIKey of bis(2-methylprop-2-enoic acid);phenol?
The InChIKey is SKESERDUDQOXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.2C4H6O2/c7-6-4-2-1-3-5-6;2*1-3(2)4(5)6/h1-5,7H;2*1H2,2H3,(H,5,6).
What are the key properties of bis(2-methylprop-2-enoic acid);phenol?
bis(2-methylprop-2-enoic acid);phenol has a molecular weight of 266.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoic acid);phenol is sourced from PubChem (CID 22034397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).