2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

C23H27N3O — CID 14556779

IUPAC2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(Cc2ccc(-c3ccccc3)cc2)C1(O)Cn1cncn1
InChIInChI=1S/C23H27N3O/c1-22(2)13-12-21(23(22,27)15-26-17-24-16-25-26)14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,16-17,21,27H,12-15H2,1-2H3
InChIKeyOKZCIYWTXOJQLT-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.36
Rot. Bonds5

About 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 14556779) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID14556779
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
SMILESCC1(C)CCC(Cc2ccc(-c3ccccc3)cc2)C1(O)Cn1cncn1
InChIInChI=1S/C23H27N3O/c1-22(2)13-12-21(23(22,27)15-26-17-24-16-25-26)14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,16-17,21,27H,12-15H2,1-2H3
InChIKeyOKZCIYWTXOJQLT-UHFFFAOYSA-N
XLogP4.36
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (CID 14556779) is 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is CC1(C)CCC(Cc2ccc(-c3ccccc3)cc2)C1(O)Cn1cncn1.
What is the InChIKey of 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is OKZCIYWTXOJQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-22(2)13-12-21(23(22,27)15-26-17-24-16-25-26)14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,16-17,21,27H,12-15H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?
2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 361.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(4-phenylphenyl)methyl]-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 14556779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).