1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol

C15H20N4O — CID 15150756

IUPAC1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol
SMILESCn1nnnc1C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C15H20N4O/c1-19-14(16-17-18-19)13(12-8-4-2-5-9-12)15(20)10-6-3-7-11-15/h2,4-5,8-9,13,20H,3,6-7,10-11H2,1H3
InChIKeyKBTPYHUGFZSQBS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds3

About 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol

1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol (PubChem CID 15150756) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol
PubChem CID15150756
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol
SMILESCn1nnnc1C(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C15H20N4O/c1-19-14(16-17-18-19)13(12-8-4-2-5-9-12)15(20)10-6-3-7-11-15/h2,4-5,8-9,13,20H,3,6-7,10-11H2,1H3
InChIKeyKBTPYHUGFZSQBS-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol (CID 15150756) is 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol is Cn1nnnc1C(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol?
The InChIKey is KBTPYHUGFZSQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-14(16-17-18-19)13(12-8-4-2-5-9-12)15(20)10-6-3-7-11-15/h2,4-5,8-9,13,20H,3,6-7,10-11H2,1H3.
What are the key properties of 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol?
1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol has a molecular weight of 272.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltetrazol-5-yl)-phenylmethyl]cyclohexan-1-ol is sourced from PubChem (CID 15150756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).