(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone

C15H12N4O — CID 19791942

IUPAC(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C15H12N4O/c1-10-6-8-11(9-7-10)14(20)12-4-2-3-5-13(12)15-16-18-19-17-15/h2-9H,1H3,(H,16,17,18,19)
InChIKeyUYOZSHPDTDXMOL-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.41
Rot. Bonds3

About (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone

(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 19791942) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID19791942
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCc1ccc(C(=O)c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C15H12N4O/c1-10-6-8-11(9-7-10)14(20)12-4-2-3-5-13(12)15-16-18-19-17-15/h2-9H,1H3,(H,16,17,18,19)
InChIKeyUYOZSHPDTDXMOL-UHFFFAOYSA-N
XLogP2.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
[4-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 57303802
[4-[methyl-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 19975968
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 95227310
ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
CID 171716642
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889
N-methyl-N-(2-pyrazol-1-ylethyl)-2-(2H-tetrazol-5-yl)benzamide
CID 74236191
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 19791942) is (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone is Cc1ccc(C(=O)c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is UYOZSHPDTDXMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-10-6-8-11(9-7-10)14(20)12-4-2-3-5-13(12)15-16-18-19-17-15/h2-9H,1H3,(H,16,17,18,19).
What are the key properties of (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone?
(4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 264.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 19791942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).