actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol

C15H14Ac4O5 — CID 160848068

IUPACactinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol
SMILESC=Cc1ccc(O)c(O)c1.O=Cc1ccc(O)c(O)c1.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C8H8O2.C7H6O3.4Ac/c1-2-6-3-4-7(9)8(10)5-6;8-4-5-1-2-6(9)7(10)3-5;;;;/h2-5,9-10H,1H2;1-4,9-10H;;;;
InChIKeyWSTHDHKDUQDRMH-UHFFFAOYSA-N
MW1182.27 g/mol
LogP2.65
Rot. Bonds2

About actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol

actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol (PubChem CID 160848068) has the molecular formula C15H14Ac4O5 and a molecular weight of 1182.27 g/mol. Its IUPAC name is actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol.

Molecular Properties

Compound Nameactinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol
PubChem CID160848068
Molecular FormulaC15H14Ac4O5
Molecular Weight1182.27 g/mol
Exact Mass1182.20
IUPAC Nameactinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol
SMILESC=Cc1ccc(O)c(O)c1.O=Cc1ccc(O)c(O)c1.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C8H8O2.C7H6O3.4Ac/c1-2-6-3-4-7(9)8(10)5-6;8-4-5-1-2-6(9)7(10)3-5;;;;/h2-5,9-10H,1H2;1-4,9-10H;;;;
InChIKeyWSTHDHKDUQDRMH-UHFFFAOYSA-N
XLogP2.65
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001182.27
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
3,4-dideuteriooxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 158431021
4-ethenylbenzene-1,2-diol;2,2,2-trichloroacetic acid
CID 175435134
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
diaziridine-1,3,3-triamine;3,4-dihydroxybenzaldehyde
CID 174188033
2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 160982415
2,4-bis(ethenyl)phenol
CID 18541843
3,4-dihydroxybenzaldehyde;(E)-3-(3-hydroxy-4-methylphenyl)prop-2-enal
CID 162213791
ethane;4-ethenylbenzaldehyde;methanol
CID 145257889
3,4-dihydroxybenzaldehyde;N-methyl-1-phenylmethanamine
CID 175403126
4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
3,4-dihydroxybenzaldehyde;N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 142194002

Frequently Asked Questions

What is the IUPAC name of actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol?
The IUPAC name of actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol (CID 160848068) is actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol.
What is the SMILES notation for actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol?
The canonical SMILES for actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol is C=Cc1ccc(O)c(O)c1.O=Cc1ccc(O)c(O)c1.[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol?
The InChIKey is WSTHDHKDUQDRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C7H6O3.4Ac/c1-2-6-3-4-7(9)8(10)5-6;8-4-5-1-2-6(9)7(10)3-5;;;;/h2-5,9-10H,1H2;1-4,9-10H;;;;.
What are the key properties of actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol?
actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol has a molecular weight of 1182.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol is sourced from PubChem (CID 160848068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).