(1-benzyltetrazol-5-yl)-phenylmethanol

C15H14N4O — CID 11998598

IUPAC(1-benzyltetrazol-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1nnnn1Cc1ccccc1
InChIInChI=1S/C15H14N4O/c20-14(13-9-5-2-6-10-13)15-16-17-18-19(15)11-12-7-3-1-4-8-12/h1-10,14,20H,11H2
InChIKeyMIBWEPPNBSXNHN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.80
Rot. Bonds4

About (1-benzyltetrazol-5-yl)-phenylmethanol

(1-benzyltetrazol-5-yl)-phenylmethanol (PubChem CID 11998598) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (1-benzyltetrazol-5-yl)-phenylmethanol.

Molecular Properties

Compound Name(1-benzyltetrazol-5-yl)-phenylmethanol
PubChem CID11998598
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(1-benzyltetrazol-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1nnnn1Cc1ccccc1
InChIInChI=1S/C15H14N4O/c20-14(13-9-5-2-6-10-13)15-16-17-18-19(15)11-12-7-3-1-4-8-12/h1-10,14,20H,11H2
InChIKeyMIBWEPPNBSXNHN-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzyltetrazol-5-yl)-phenylmethanol?
The IUPAC name of (1-benzyltetrazol-5-yl)-phenylmethanol (CID 11998598) is (1-benzyltetrazol-5-yl)-phenylmethanol.
What is the SMILES notation for (1-benzyltetrazol-5-yl)-phenylmethanol?
The canonical SMILES for (1-benzyltetrazol-5-yl)-phenylmethanol is OC(c1ccccc1)c1nnnn1Cc1ccccc1.
What is the InChIKey of (1-benzyltetrazol-5-yl)-phenylmethanol?
The InChIKey is MIBWEPPNBSXNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-14(13-9-5-2-6-10-13)15-16-17-18-19(15)11-12-7-3-1-4-8-12/h1-10,14,20H,11H2.
What are the key properties of (1-benzyltetrazol-5-yl)-phenylmethanol?
(1-benzyltetrazol-5-yl)-phenylmethanol has a molecular weight of 266.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltetrazol-5-yl)-phenylmethanol is sourced from PubChem (CID 11998598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).