5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol

C28H20O2 — CID 167157471

IUPAC5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol
SMILESC=Cc1cc(Oc2ccc3cc4c(C=C)cccc4cc3c2)cc2cc(O)ccc12
InChIInChI=1S/C28H20O2/c1-3-18-6-5-7-21-12-22-15-25(10-8-20(22)17-28(18)21)30-26-14-19(4-2)27-11-9-24(29)13-23(27)16-26/h3-17,29H,1-2H2
InChIKeyORZYZBUXHUJIDC-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.93
Rot. Bonds4

About 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol

5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol (PubChem CID 167157471) has the molecular formula C28H20O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol.

Molecular Properties

Compound Name5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol
PubChem CID167157471
Molecular FormulaC28H20O2
Molecular Weight388.47 g/mol
Exact Mass388.15
IUPAC Name5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol
SMILESC=Cc1cc(Oc2ccc3cc4c(C=C)cccc4cc3c2)cc2cc(O)ccc12
InChIInChI=1S/C28H20O2/c1-3-18-6-5-7-21-12-22-15-25(10-8-20(22)17-28(18)21)30-26-14-19(4-2)27-11-9-24(29)13-23(27)16-26/h3-17,29H,1-2H2
InChIKeyORZYZBUXHUJIDC-UHFFFAOYSA-N
XLogP7.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol?
The IUPAC name of 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol (CID 167157471) is 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol.
What is the SMILES notation for 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol?
The canonical SMILES for 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol is C=Cc1cc(Oc2ccc3cc4c(C=C)cccc4cc3c2)cc2cc(O)ccc12.
What is the InChIKey of 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol?
The InChIKey is ORZYZBUXHUJIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O2/c1-3-18-6-5-7-21-12-22-15-25(10-8-20(22)17-28(18)21)30-26-14-19(4-2)27-11-9-24(29)13-23(27)16-26/h3-17,29H,1-2H2.
What are the key properties of 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol?
5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol has a molecular weight of 388.47 g/mol, XLogP of 7.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-7-(5-ethenylanthracen-2-yl)oxynaphthalen-2-ol is sourced from PubChem (CID 167157471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).