11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C25H22O — CID 100931324

IUPAC11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCOC1(C(c2ccccc2)c2ccccc2)C2C=CC1c1ccccc12
InChIInChI=1S/C25H22O/c1-26-25(22-16-17-23(25)21-15-9-8-14-20(21)22)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-17,22-24H,1H3
InChIKeyHSAZJQLEAMOFQA-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.65
Rot. Bonds4

About 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 100931324) has the molecular formula C25H22O and a molecular weight of 338.45 g/mol. Its IUPAC name is 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID100931324
Molecular FormulaC25H22O
Molecular Weight338.45 g/mol
Exact Mass338.17
IUPAC Name11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCOC1(C(c2ccccc2)c2ccccc2)C2C=CC1c1ccccc12
InChIInChI=1S/C25H22O/c1-26-25(22-16-17-23(25)21-15-9-8-14-20(21)22)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-17,22-24H,1H3
InChIKeyHSAZJQLEAMOFQA-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 100931324) is 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is COC1(C(c2ccccc2)c2ccccc2)C2C=CC1c1ccccc12.
What is the InChIKey of 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is HSAZJQLEAMOFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O/c1-26-25(22-16-17-23(25)21-15-9-8-14-20(21)22)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-17,22-24H,1H3.
What are the key properties of 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 338.45 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 100931324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).