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

C21H16O — CID 5198213

IUPAC2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
SMILESOC1(c2ccccc2)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C21H16O/c22-21(18-10-2-1-3-11-18)19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h1-15,22H
InChIKeyQVUTWVSJWLADQZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.45
Rot. Bonds1

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

2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol (PubChem CID 5198213) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol.

Molecular Properties

Compound Name2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
PubChem CID5198213
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
SMILESOC1(c2ccccc2)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C21H16O/c22-21(18-10-2-1-3-11-18)19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h1-15,22H
InChIKeyQVUTWVSJWLADQZ-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The IUPAC name of 2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol (CID 5198213) is 2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol.
What is the SMILES notation for 2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The canonical SMILES for 2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol is OC1(c2ccccc2)c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The InChIKey is QVUTWVSJWLADQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c22-21(18-10-2-1-3-11-18)19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h1-15,22H.
What are the key properties of 2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol has a molecular weight of 284.36 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol is sourced from PubChem (CID 5198213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).