(3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone

C18H17N3O2 — CID 71681513

IUPAC(3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
SMILESCC(C)c1ccc(-n2cc(C(=O)c3cccc(O)c3)nn2)cc1
InChIInChI=1S/C18H17N3O2/c1-12(2)13-6-8-15(9-7-13)21-11-17(19-20-21)18(23)14-4-3-5-16(22)10-14/h3-12,22H,1-2H3
InChIKeyMURVNISEQCRMTI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.33
Rot. Bonds4

About (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone

(3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone (PubChem CID 71681513) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
PubChem CID71681513
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
SMILESCC(C)c1ccc(-n2cc(C(=O)c3cccc(O)c3)nn2)cc1
InChIInChI=1S/C18H17N3O2/c1-12(2)13-6-8-15(9-7-13)21-11-17(19-20-21)18(23)14-4-3-5-16(22)10-14/h3-12,22H,1-2H3
InChIKeyMURVNISEQCRMTI-UHFFFAOYSA-N
XLogP3.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681514
(4-Hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681512
(2-Methoxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
CID 71681679
[1-(2-Hydroxy-6-methylphenyl)triazol-4-yl]-phenylmethanone
CID 86296296
[1-(2-Hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone
CID 86296297
(3,5-Dimethylphenyl)-[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]methanone
CID 86296491
[1-(5-Chloro-2-hydroxyphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone
CID 86296493
[1-(2-Hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone
CID 86296495
(3,5-Dimethylphenyl)-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]methanone
CID 86296684
[1-(2-Hydroxy-6-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone
CID 86296685
[1-(2-Hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone
CID 86296686
3-[1-[4-(3-Hydroxyphenyl)phenyl]triazol-4-yl]benzoic acid
CID 156834100

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone (CID 71681513) is (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone is CC(C)c1ccc(-n2cc(C(=O)c3cccc(O)c3)nn2)cc1.
What is the InChIKey of (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The InChIKey is MURVNISEQCRMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(2)13-6-8-15(9-7-13)21-11-17(19-20-21)18(23)14-4-3-5-16(22)10-14/h3-12,22H,1-2H3.
What are the key properties of (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
(3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone has a molecular weight of 307.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 71681513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).