(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone

C16H13N3O3 — CID 155934139

IUPAC(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone
SMILESCOc1cccc(-c2n[nH]nc2C(=O)c2ccccc2O)c1
InChIInChI=1S/C16H13N3O3/c1-22-11-6-4-5-10(9-11)14-15(18-19-17-14)16(21)12-7-2-3-8-13(12)20/h2-9,20H,1H3,(H,17,18,19)
InChIKeySBRWVOACZQJYMF-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.42
Rot. Bonds4

About (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone

(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone (PubChem CID 155934139) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone
PubChem CID155934139
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone
SMILESCOc1cccc(-c2n[nH]nc2C(=O)c2ccccc2O)c1
InChIInChI=1S/C16H13N3O3/c1-22-11-6-4-5-10(9-11)14-15(18-19-17-14)16(21)12-7-2-3-8-13(12)20/h2-9,20H,1H3,(H,17,18,19)
InChIKeySBRWVOACZQJYMF-UHFFFAOYSA-N
XLogP2.42
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone
CID 155934303
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
2-hydroxy-5-(3-methoxyphenyl)benzoic acid
CID 4564140
2-(2-hydroxybenzoyl)-4-(3-methoxyphenyl)xanthen-9-one
CID 153408199
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-[3-(5-ethoxycarbonyl-2H-triazol-4-yl)phenoxy]acetic acid
CID 169400608
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
[2-hydroxy-5-[12-(3-methoxyphenyl)chrysen-6-yl]phenyl]-phenylmethanone
CID 138600690
(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone
CID 135057764

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone (CID 155934139) is (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone is COc1cccc(-c2n[nH]nc2C(=O)c2ccccc2O)c1.
What is the InChIKey of (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone?
The InChIKey is SBRWVOACZQJYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-11-6-4-5-10(9-11)14-15(18-19-17-14)16(21)12-7-2-3-8-13(12)20/h2-9,20H,1H3,(H,17,18,19).
What are the key properties of (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone?
(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone has a molecular weight of 295.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone is sourced from PubChem (CID 155934139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).