2-methylprop-2-enoic acid;phenol

C16H18O4 — CID 66939837

IUPAC2-methylprop-2-enoic acid;phenol
SMILESC=C(C)C(=O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C4H6O2/c2*7-6-4-2-1-3-5-6;1-3(2)4(5)6/h2*1-5,7H;1H2,2H3,(H,5,6)
InChIKeyMBOUDGFDYRCXHO-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.43
Rot. Bonds1

About 2-methylprop-2-enoic acid;phenol

2-methylprop-2-enoic acid;phenol (PubChem CID 66939837) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;phenol.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;phenol
PubChem CID66939837
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name2-methylprop-2-enoic acid;phenol
SMILESC=C(C)C(=O)O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C4H6O2/c2*7-6-4-2-1-3-5-6;1-3(2)4(5)6/h2*1-5,7H;1H2,2H3,(H,5,6)
InChIKeyMBOUDGFDYRCXHO-UHFFFAOYSA-N
XLogP3.43
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.43
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 2-methylprop-2-enoic acid;phenol?
The IUPAC name of 2-methylprop-2-enoic acid;phenol (CID 66939837) is 2-methylprop-2-enoic acid;phenol.
What is the SMILES notation for 2-methylprop-2-enoic acid;phenol?
The canonical SMILES for 2-methylprop-2-enoic acid;phenol is C=C(C)C(=O)O.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 2-methylprop-2-enoic acid;phenol?
The InChIKey is MBOUDGFDYRCXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.C4H6O2/c2*7-6-4-2-1-3-5-6;1-3(2)4(5)6/h2*1-5,7H;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;phenol?
2-methylprop-2-enoic acid;phenol has a molecular weight of 274.32 g/mol, XLogP of 3.43, 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 is sourced from PubChem (CID 66939837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).