[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone

C16H13N3O2 — CID 86296296

IUPAC[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone
SMILESCc1cccc(O)c1-n1cc(C(=O)c2ccccc2)nn1
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-14(20)15(11)19-10-13(17-18-19)16(21)12-7-3-2-4-8-12/h2-10,20H,1H3
InChIKeyCTLFLURPOQVLBT-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.51
Rot. Bonds3

About [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone

[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone (PubChem CID 86296296) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone
PubChem CID86296296
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone
SMILESCc1cccc(O)c1-n1cc(C(=O)c2ccccc2)nn1
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-14(20)15(11)19-10-13(17-18-19)16(21)12-7-3-2-4-8-12/h2-10,20H,1H3
InChIKeyCTLFLURPOQVLBT-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone?
The IUPAC name of [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone (CID 86296296) is [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone?
The canonical SMILES for [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone is Cc1cccc(O)c1-n1cc(C(=O)c2ccccc2)nn1.
What is the InChIKey of [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone?
The InChIKey is CTLFLURPOQVLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-6-5-9-14(20)15(11)19-10-13(17-18-19)16(21)12-7-3-2-4-8-12/h2-10,20H,1H3.
What are the key properties of [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone?
[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone has a molecular weight of 279.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone is sourced from PubChem (CID 86296296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).