ethene;bis(4-hydroxybenzoic acid)

C16H16O6 — CID 158613514

IUPACethene;bis(4-hydroxybenzoic acid)
SMILESC=C.O=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/2C7H6O3.C2H4/c2*8-6-3-1-5(2-4-6)7(9)10;1-2/h2*1-4,8H,(H,9,10);1-2H2
InChIKeyHXCVQKJEHBOIKY-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.98
Rot. Bonds2

About ethene;bis(4-hydroxybenzoic acid)

ethene;bis(4-hydroxybenzoic acid) (PubChem CID 158613514) has the molecular formula C16H16O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is ethene;bis(4-hydroxybenzoic acid).

Molecular Properties

Compound Nameethene;bis(4-hydroxybenzoic acid)
PubChem CID158613514
Molecular FormulaC16H16O6
Molecular Weight304.30 g/mol
Exact Mass304.09
IUPAC Nameethene;bis(4-hydroxybenzoic acid)
SMILESC=C.O=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/2C7H6O3.C2H4/c2*8-6-3-1-5(2-4-6)7(9)10;1-2/h2*1-4,8H,(H,9,10);1-2H2
InChIKeyHXCVQKJEHBOIKY-UHFFFAOYSA-N
XLogP2.98
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethene;bis(4-hydroxybenzoic acid)?
The IUPAC name of ethene;bis(4-hydroxybenzoic acid) (CID 158613514) is ethene;bis(4-hydroxybenzoic acid).
What is the SMILES notation for ethene;bis(4-hydroxybenzoic acid)?
The canonical SMILES for ethene;bis(4-hydroxybenzoic acid) is C=C.O=C(O)c1ccc(O)cc1.O=C(O)c1ccc(O)cc1.
What is the InChIKey of ethene;bis(4-hydroxybenzoic acid)?
The InChIKey is HXCVQKJEHBOIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3.C2H4/c2*8-6-3-1-5(2-4-6)7(9)10;1-2/h2*1-4,8H,(H,9,10);1-2H2.
What are the key properties of ethene;bis(4-hydroxybenzoic acid)?
ethene;bis(4-hydroxybenzoic acid) has a molecular weight of 304.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;bis(4-hydroxybenzoic acid) is sourced from PubChem (CID 158613514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).