bis(benzene-1,3-diol);formaldehyde

C14H16O6 — CID 174734201

IUPACbis(benzene-1,3-diol);formaldehyde
SMILESC=O.C=O.Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/2C6H6O2.2CH2O/c2*7-5-2-1-3-6(8)4-5;2*1-2/h2*1-4,7-8H;2*1H2
InChIKeyCLVFEPMVMCKDTR-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.83
Rot. Bonds

About bis(benzene-1,3-diol);formaldehyde

bis(benzene-1,3-diol);formaldehyde (PubChem CID 174734201) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is bis(benzene-1,3-diol);formaldehyde.

Molecular Properties

Compound Namebis(benzene-1,3-diol);formaldehyde
PubChem CID174734201
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Namebis(benzene-1,3-diol);formaldehyde
SMILESC=O.C=O.Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/2C6H6O2.2CH2O/c2*7-5-2-1-3-6(8)4-5;2*1-2/h2*1-4,7-8H;2*1H2
InChIKeyCLVFEPMVMCKDTR-UHFFFAOYSA-N
XLogP1.83
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzene-1,3-diol;formaldehyde;silver
CID 174852688
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
bis(benzene-1,3-diol);hydrate
CID 174320343
bis(benzene-1,3-diol);methane
CID 70633400
benzene-1,3-diol;tris(yttrium)
CID 23386139
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570
benzene-1,3-diol;phosphoric acid
CID 87069465
benzene-1,3-diol;phosphoric acid
CID 66603395
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
benzene-1,3-diol;phenol
CID 23218590
3-tritiooxyphenol
CID 118553198
benzene-1,3-diol;formaldehyde;2-phenylphenol
CID 174593053

Frequently Asked Questions

What is the IUPAC name of bis(benzene-1,3-diol);formaldehyde?
The IUPAC name of bis(benzene-1,3-diol);formaldehyde (CID 174734201) is bis(benzene-1,3-diol);formaldehyde.
What is the SMILES notation for bis(benzene-1,3-diol);formaldehyde?
The canonical SMILES for bis(benzene-1,3-diol);formaldehyde is C=O.C=O.Oc1cccc(O)c1.Oc1cccc(O)c1.
What is the InChIKey of bis(benzene-1,3-diol);formaldehyde?
The InChIKey is CLVFEPMVMCKDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O2.2CH2O/c2*7-5-2-1-3-6(8)4-5;2*1-2/h2*1-4,7-8H;2*1H2.
What are the key properties of bis(benzene-1,3-diol);formaldehyde?
bis(benzene-1,3-diol);formaldehyde has a molecular weight of 280.28 g/mol, XLogP of 1.83, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzene-1,3-diol);formaldehyde is sourced from PubChem (CID 174734201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).