ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

C17H18O2 — CID 67954177

IUPACethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
SMILESCCO.OC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C15H12O.C2H6O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;1-2-3/h1-10,15-16H;3H,2H2,1H3
InChIKeyDEISHXZBNDTGHW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.25
Rot. Bonds

About ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol (PubChem CID 67954177) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol.

Molecular Properties

Compound Nameethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
PubChem CID67954177
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Nameethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
SMILESCCO.OC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C15H12O.C2H6O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;1-2-3/h1-10,15-16H;3H,2H2,1H3
InChIKeyDEISHXZBNDTGHW-UHFFFAOYSA-N
XLogP3.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The IUPAC name of ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol (CID 67954177) is ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol.
What is the SMILES notation for ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The canonical SMILES for ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol is CCO.OC1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The InChIKey is DEISHXZBNDTGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C2H6O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15;1-2-3/h1-10,15-16H;3H,2H2,1H3.
What are the key properties of ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol has a molecular weight of 254.33 g/mol, XLogP of 3.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol is sourced from PubChem (CID 67954177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).