[3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol

C20H23NO — CID 68959929

IUPAC[3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1cccc(C23CCN(CC2)CC3)c1
InChIInChI=1S/C20H23NO/c22-19(16-5-2-1-3-6-16)17-7-4-8-18(15-17)20-9-12-21(13-10-20)14-11-20/h1-8,15,19,22H,9-14H2
InChIKeyHJZQHBKRDQWISU-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.51
Rot. Bonds3

About [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol

[3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol (PubChem CID 68959929) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol.

Molecular Properties

Compound Name[3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol
PubChem CID68959929
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name[3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1cccc(C23CCN(CC2)CC3)c1
InChIInChI=1S/C20H23NO/c22-19(16-5-2-1-3-6-16)17-7-4-8-18(15-17)20-9-12-21(13-10-20)14-11-20/h1-8,15,19,22H,9-14H2
InChIKeyHJZQHBKRDQWISU-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol?
The IUPAC name of [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol (CID 68959929) is [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol.
What is the SMILES notation for [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol?
The canonical SMILES for [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol is OC(c1ccccc1)c1cccc(C23CCN(CC2)CC3)c1.
What is the InChIKey of [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol?
The InChIKey is HJZQHBKRDQWISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c22-19(16-5-2-1-3-6-16)17-7-4-8-18(15-17)20-9-12-21(13-10-20)14-11-20/h1-8,15,19,22H,9-14H2.
What are the key properties of [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol?
[3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol has a molecular weight of 293.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-phenylmethanol is sourced from PubChem (CID 68959929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).