2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol

C16H15N3O3 — CID 102035292

IUPAC2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol
SMILESCOc1ccc(-n2nncc2-c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C16H15N3O3/c1-21-13-6-4-12(5-7-13)19-14(10-17-18-19)11-3-8-16(22-2)15(20)9-11/h3-10,20H,1-2H3
InChIKeyFWZUHCPNVCFUNO-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.66
Rot. Bonds4

About 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol

2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol (PubChem CID 102035292) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol
PubChem CID102035292
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol
SMILESCOc1ccc(-n2nncc2-c2ccc(OC)c(O)c2)cc1
InChIInChI=1S/C16H15N3O3/c1-21-13-6-4-12(5-7-13)19-14(10-17-18-19)11-3-8-16(22-2)15(20)9-11/h3-10,20H,1-2H3
InChIKeyFWZUHCPNVCFUNO-UHFFFAOYSA-N
XLogP2.66
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol (CID 102035292) is 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol is COc1ccc(-n2nncc2-c2ccc(OC)c(O)c2)cc1.
What is the InChIKey of 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol?
The InChIKey is FWZUHCPNVCFUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-13-6-4-12(5-7-13)19-14(10-17-18-19)11-3-8-16(22-2)15(20)9-11/h3-10,20H,1-2H3.
What are the key properties of 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol?
2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol has a molecular weight of 297.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(4-methoxyphenyl)triazol-4-yl]phenol is sourced from PubChem (CID 102035292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).