benzene-1,3-diol;hexakis(prop-2-enoic acid)

C24H30O14 — CID 158588762

IUPACbenzene-1,3-diol;hexakis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.6C3H4O2/c7-5-2-1-3-6(8)4-5;6*1-2-3(4)5/h1-4,7-8H;6*2H,1H2,(H,4,5)
InChIKeyHUEAERYWZOBAIN-UHFFFAOYSA-N
MW542.49 g/mol
LogP2.64
Rot. Bonds6

About benzene-1,3-diol;hexakis(prop-2-enoic acid)

benzene-1,3-diol;hexakis(prop-2-enoic acid) (PubChem CID 158588762) has the molecular formula C24H30O14 and a molecular weight of 542.49 g/mol. Its IUPAC name is benzene-1,3-diol;hexakis(prop-2-enoic acid).

Molecular Properties

Compound Namebenzene-1,3-diol;hexakis(prop-2-enoic acid)
PubChem CID158588762
Molecular FormulaC24H30O14
Molecular Weight542.49 g/mol
Exact Mass542.16
IUPAC Namebenzene-1,3-diol;hexakis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.Oc1cccc(O)c1
InChIInChI=1S/C6H6O2.6C3H4O2/c7-5-2-1-3-6(8)4-5;6*1-2-3(4)5/h1-4,7-8H;6*2H,1H2,(H,4,5)
InChIKeyHUEAERYWZOBAIN-UHFFFAOYSA-N
XLogP2.64
TPSA264.26 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.49
LogP ≤ 52.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzene;phenol;prop-2-enoic acid
CID 174875932
phenol;bis(prop-2-enoic acid);hydrofluoride
CID 175753146
bis(benzene-1,3-diol);formaldehyde
CID 174734201
benzene-1,3-diol;formaldehyde;silver
CID 174852688
oxirane;phenol;bis(prop-2-enoic acid)
CID 158727364
benzene-1,3-diol;phenol
CID 23218590
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
(3-hydroxyphenyl)-prop-2-enylcarbamic acid
CID 70559245
benzene-1,4-diol;methoxymethane;prop-2-enoic acid
CID 67882333

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;hexakis(prop-2-enoic acid)?
The IUPAC name of benzene-1,3-diol;hexakis(prop-2-enoic acid) (CID 158588762) is benzene-1,3-diol;hexakis(prop-2-enoic acid).
What is the SMILES notation for benzene-1,3-diol;hexakis(prop-2-enoic acid)?
The canonical SMILES for benzene-1,3-diol;hexakis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.C=CC(=O)O.Oc1cccc(O)c1.
What is the InChIKey of benzene-1,3-diol;hexakis(prop-2-enoic acid)?
The InChIKey is HUEAERYWZOBAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.6C3H4O2/c7-5-2-1-3-6(8)4-5;6*1-2-3(4)5/h1-4,7-8H;6*2H,1H2,(H,4,5).
What are the key properties of benzene-1,3-diol;hexakis(prop-2-enoic acid)?
benzene-1,3-diol;hexakis(prop-2-enoic acid) has a molecular weight of 542.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;hexakis(prop-2-enoic acid) is sourced from PubChem (CID 158588762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).