[(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol

C24H21NO — CID 139972860

IUPAC[(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCN1
InChIInChI=1S/C24H21NO/c26-24(23-13-14-25-23,21-11-9-17-5-1-3-7-19(17)15-21)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16,23,25-26H,13-14H2/t23-/m0/s1
InChIKeyUAEQVULGVOSUKD-QHCPKHFHSA-N
MW339.44 g/mol
LogP4.59
Rot. Bonds3

About [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol

[(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol (PubChem CID 139972860) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol.

Molecular Properties

Compound Name[(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol
PubChem CID139972860
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name[(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCN1
InChIInChI=1S/C24H21NO/c26-24(23-13-14-25-23,21-11-9-17-5-1-3-7-19(17)15-21)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16,23,25-26H,13-14H2/t23-/m0/s1
InChIKeyUAEQVULGVOSUKD-QHCPKHFHSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol?
The IUPAC name of [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol (CID 139972860) is [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol.
What is the SMILES notation for [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol?
The canonical SMILES for [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol is OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCN1.
What is the InChIKey of [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol?
The InChIKey is UAEQVULGVOSUKD-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21NO/c26-24(23-13-14-25-23,21-11-9-17-5-1-3-7-19(17)15-21)22-12-10-18-6-2-4-8-20(18)16-22/h1-12,15-16,23,25-26H,13-14H2/t23-/m0/s1.
What are the key properties of [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol?
[(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol has a molecular weight of 339.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-azetidin-2-yl]-dinaphthalen-2-ylmethanol is sourced from PubChem (CID 139972860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).