2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol

C18H22O2 — CID 11437162

IUPAC2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol
SMILESC=CCc1c(O)c(CC=C)c(CC=C)c(O)c1CC=C
InChIInChI=1S/C18H22O2/c1-5-9-13-14(10-6-2)18(20)16(12-8-4)15(11-7-3)17(13)19/h5-8,19-20H,1-4,9-12H2
InChIKeyOKPGCCBGMNSWBB-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.01
Rot. Bonds8

About 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol

2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol (PubChem CID 11437162) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol
PubChem CID11437162
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol
SMILESC=CCc1c(O)c(CC=C)c(CC=C)c(O)c1CC=C
InChIInChI=1S/C18H22O2/c1-5-9-13-14(10-6-2)18(20)16(12-8-4)15(11-7-3)17(13)19/h5-8,19-20H,1-4,9-12H2
InChIKeyOKPGCCBGMNSWBB-UHFFFAOYSA-N
XLogP4.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol?
The IUPAC name of 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol (CID 11437162) is 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol.
What is the SMILES notation for 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol?
The canonical SMILES for 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol is C=CCc1c(O)c(CC=C)c(CC=C)c(O)c1CC=C.
What is the InChIKey of 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol?
The InChIKey is OKPGCCBGMNSWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-5-9-13-14(10-6-2)18(20)16(12-8-4)15(11-7-3)17(13)19/h5-8,19-20H,1-4,9-12H2.
What are the key properties of 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol?
2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol has a molecular weight of 270.37 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(prop-2-enyl)benzene-1,4-diol is sourced from PubChem (CID 11437162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).