(E)-but-2-enedioic acid;formaldehyde;phenol

C11H12O6 — CID 6455763

IUPAC(E)-but-2-enedioic acid;formaldehyde;phenol
SMILESC=O.O=C(O)/C=C/C(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H4O4.CH2O/c7-6-4-2-1-3-5-6;5-3(6)1-2-4(7)8;1-2/h1-5,7H;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;
InChIKeySAWSXRGMQOWTPT-JITBQSAISA-N
MW240.21 g/mol
LogP0.92
Rot. Bonds2

About (E)-but-2-enedioic acid;formaldehyde;phenol

(E)-but-2-enedioic acid;formaldehyde;phenol (PubChem CID 6455763) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;formaldehyde;phenol.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;formaldehyde;phenol
PubChem CID6455763
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name(E)-but-2-enedioic acid;formaldehyde;phenol
SMILESC=O.O=C(O)/C=C/C(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H4O4.CH2O/c7-6-4-2-1-3-5-6;5-3(6)1-2-4(7)8;1-2/h1-5,7H;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;
InChIKeySAWSXRGMQOWTPT-JITBQSAISA-N
XLogP0.92
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (E)-but-2-enedioic acid;formaldehyde;phenol?
The IUPAC name of (E)-but-2-enedioic acid;formaldehyde;phenol (CID 6455763) is (E)-but-2-enedioic acid;formaldehyde;phenol.
What is the SMILES notation for (E)-but-2-enedioic acid;formaldehyde;phenol?
The canonical SMILES for (E)-but-2-enedioic acid;formaldehyde;phenol is C=O.O=C(O)/C=C/C(=O)O.Oc1ccccc1.
What is the InChIKey of (E)-but-2-enedioic acid;formaldehyde;phenol?
The InChIKey is SAWSXRGMQOWTPT-JITBQSAISA-N. The full InChI is InChI=1S/C6H6O.C4H4O4.CH2O/c7-6-4-2-1-3-5-6;5-3(6)1-2-4(7)8;1-2/h1-5,7H;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;.
What are the key properties of (E)-but-2-enedioic acid;formaldehyde;phenol?
(E)-but-2-enedioic acid;formaldehyde;phenol has a molecular weight of 240.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;formaldehyde;phenol is sourced from PubChem (CID 6455763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).