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

C25H24O — CID 100931321

IUPAC11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCOC1(C(c2ccccc2)c2ccccc2)C2CCC1c1ccccc12
InChIInChI=1S/C25H24O/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/h2-15,22-24H,16-17H2,1H3
InChIKeyGKLLMWYESPWYQY-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.88
Rot. Bonds4

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

11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 100931321) has the molecular formula C25H24O and a molecular weight of 340.47 g/mol. Its IUPAC name is 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID100931321
Molecular FormulaC25H24O
Molecular Weight340.47 g/mol
Exact Mass340.18
IUPAC Name11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESCOC1(C(c2ccccc2)c2ccccc2)C2CCC1c1ccccc12
InChIInChI=1S/C25H24O/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/h2-15,22-24H,16-17H2,1H3
InChIKeyGKLLMWYESPWYQY-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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-triene?
The IUPAC name of 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 100931321) is 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene is COC1(C(c2ccccc2)c2ccccc2)C2CCC1c1ccccc12.
What is the InChIKey of 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is GKLLMWYESPWYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O/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/h2-15,22-24H,16-17H2,1H3.
What are the key properties of 11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene?
11-benzhydryl-11-methoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 340.47 g/mol, XLogP of 5.88, 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-triene is sourced from PubChem (CID 100931321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).