3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol

C24H28O4 — CID 157436892

IUPAC3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol
SMILESC=CCc1cc(O)c(O)cc1CC=C.C=CCc1ccc(O)c(O)c1CC=C
InChIInChI=1S/2C12H14O2/c1-3-5-9-7-11(13)12(14)8-10(9)6-4-2;1-3-5-9-7-8-11(13)12(14)10(9)6-4-2/h2*3-4,7-8,13-14H,1-2,5-6H2
InChIKeyBRFDNVTVORAWFQ-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.11
Rot. Bonds8

About 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol

3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol (PubChem CID 157436892) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol.

Molecular Properties

Compound Name3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol
PubChem CID157436892
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol
SMILESC=CCc1cc(O)c(O)cc1CC=C.C=CCc1ccc(O)c(O)c1CC=C
InChIInChI=1S/2C12H14O2/c1-3-5-9-7-11(13)12(14)8-10(9)6-4-2;1-3-5-9-7-8-11(13)12(14)10(9)6-4-2/h2*3-4,7-8,13-14H,1-2,5-6H2
InChIKeyBRFDNVTVORAWFQ-UHFFFAOYSA-N
XLogP5.11
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol?
The IUPAC name of 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol (CID 157436892) is 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol.
What is the SMILES notation for 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol?
The canonical SMILES for 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol is C=CCc1cc(O)c(O)cc1CC=C.C=CCc1ccc(O)c(O)c1CC=C.
What is the InChIKey of 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol?
The InChIKey is BRFDNVTVORAWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14O2/c1-3-5-9-7-11(13)12(14)8-10(9)6-4-2;1-3-5-9-7-8-11(13)12(14)10(9)6-4-2/h2*3-4,7-8,13-14H,1-2,5-6H2.
What are the key properties of 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol?
3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol has a molecular weight of 380.48 g/mol, XLogP of 5.11, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(prop-2-enyl)benzene-1,2-diol;4,5-bis(prop-2-enyl)benzene-1,2-diol is sourced from PubChem (CID 157436892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).