4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol

C16H15N3O2 — CID 52950033

IUPAC4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol
SMILESCOc1ccccc1Cn1cc(-c2ccc(O)cc2)nn1
InChIInChI=1S/C16H15N3O2/c1-21-16-5-3-2-4-13(16)10-19-11-15(17-18-19)12-6-8-14(20)9-7-12/h2-9,11,20H,10H2,1H3
InChIKeyDNYUORPJEXINBP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.71
Rot. Bonds4

About 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol

4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol (PubChem CID 52950033) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol
PubChem CID52950033
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol
SMILESCOc1ccccc1Cn1cc(-c2ccc(O)cc2)nn1
InChIInChI=1S/C16H15N3O2/c1-21-16-5-3-2-4-13(16)10-19-11-15(17-18-19)12-6-8-14(20)9-7-12/h2-9,11,20H,10H2,1H3
InChIKeyDNYUORPJEXINBP-UHFFFAOYSA-N
XLogP2.71
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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CID 24793538
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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol?
The IUPAC name of 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol (CID 52950033) is 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol.
What is the SMILES notation for 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol?
The canonical SMILES for 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol is COc1ccccc1Cn1cc(-c2ccc(O)cc2)nn1.
What is the InChIKey of 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol?
The InChIKey is DNYUORPJEXINBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-16-5-3-2-4-13(16)10-19-11-15(17-18-19)12-6-8-14(20)9-7-12/h2-9,11,20H,10H2,1H3.
What are the key properties of 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol?
4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol has a molecular weight of 281.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methoxyphenyl)methyl]triazol-4-yl]phenol is sourced from PubChem (CID 52950033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).