1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol

C15H20N4O — CID 107045682

IUPAC1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol
SMILESCn1nnc(CC2(O)CCCCC2c2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-19-17-14(16-18-19)11-15(20)10-6-5-9-13(15)12-7-3-2-4-8-12/h2-4,7-8,13,20H,5-6,9-11H2,1H3
InChIKeyTYFRFBYQXIJTGV-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.84
Rot. Bonds3

About 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol

1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol (PubChem CID 107045682) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol
PubChem CID107045682
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol
SMILESCn1nnc(CC2(O)CCCCC2c2ccccc2)n1
InChIInChI=1S/C15H20N4O/c1-19-17-14(16-18-19)11-15(20)10-6-5-9-13(15)12-7-3-2-4-8-12/h2-4,7-8,13,20H,5-6,9-11H2,1H3
InChIKeyTYFRFBYQXIJTGV-UHFFFAOYSA-N
XLogP1.84
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol?
The IUPAC name of 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol (CID 107045682) is 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol is Cn1nnc(CC2(O)CCCCC2c2ccccc2)n1.
What is the InChIKey of 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol?
The InChIKey is TYFRFBYQXIJTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-17-14(16-18-19)11-15(20)10-6-5-9-13(15)12-7-3-2-4-8-12/h2-4,7-8,13,20H,5-6,9-11H2,1H3.
What are the key properties of 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol?
1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyltetrazol-5-yl)methyl]-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 107045682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).