2-methoxy-4-(tetrazol-1-ylmethyl)phenol

C9H10N4O2 — CID 690246

IUPAC2-methoxy-4-(tetrazol-1-ylmethyl)phenol
SMILESCOc1cc(Cn2cnnn2)ccc1O
InChIInChI=1S/C9H10N4O2/c1-15-9-4-7(2-3-8(9)14)5-13-6-10-11-12-13/h2-4,6,14H,5H2,1H3
InChIKeyFXYDBFZHLXCWLS-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.44
Rot. Bonds3

About 2-methoxy-4-(tetrazol-1-ylmethyl)phenol

2-methoxy-4-(tetrazol-1-ylmethyl)phenol (PubChem CID 690246) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-methoxy-4-(tetrazol-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(tetrazol-1-ylmethyl)phenol
PubChem CID690246
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-methoxy-4-(tetrazol-1-ylmethyl)phenol
SMILESCOc1cc(Cn2cnnn2)ccc1O
InChIInChI=1S/C9H10N4O2/c1-15-9-4-7(2-3-8(9)14)5-13-6-10-11-12-13/h2-4,6,14H,5H2,1H3
InChIKeyFXYDBFZHLXCWLS-UHFFFAOYSA-N
XLogP0.44
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[Bis-(3-hydroxy-4-methoxyphenyl)methyl]-1H-[1,2,4]triazole
CID 24901651
4-[(4-hydroxy-3-methoxyphenyl)(1H-1,2,4-triazol-1-yl)methyl]-2-methoxyphenol
CID 24901652
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4725761
1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazole
CID 650409
2-Methoxy-6-[(1,2,4-triazol-4-ylamino)methyl]phenol
CID 950750
1-((4-methoxyphenyl)methyl)-1H-1,2,3,4-tetrazole
CID 10997805
1-butyl-N-(3,4-dimethoxybenzyl)-1H-tetrazol-5-amine
CID 1817983
N-(3,4-dimethoxybenzyl)-1H-1,2,4-triazol-5-amine
CID 592204
2-Methoxy-5-[[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]methyl]phenol
CID 72023873
1-[(4-methoxyphenyl)methyl]-2H-tetrazol-1-ium
CID 90971304
4-(1-Methyltetrazol-5-yl)-2-(trifluoromethoxy)phenol
CID 136353021
2-Methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol
CID 155812073

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(tetrazol-1-ylmethyl)phenol?
The IUPAC name of 2-methoxy-4-(tetrazol-1-ylmethyl)phenol (CID 690246) is 2-methoxy-4-(tetrazol-1-ylmethyl)phenol.
What is the SMILES notation for 2-methoxy-4-(tetrazol-1-ylmethyl)phenol?
The canonical SMILES for 2-methoxy-4-(tetrazol-1-ylmethyl)phenol is COc1cc(Cn2cnnn2)ccc1O.
What is the InChIKey of 2-methoxy-4-(tetrazol-1-ylmethyl)phenol?
The InChIKey is FXYDBFZHLXCWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-15-9-4-7(2-3-8(9)14)5-13-6-10-11-12-13/h2-4,6,14H,5H2,1H3.
What are the key properties of 2-methoxy-4-(tetrazol-1-ylmethyl)phenol?
2-methoxy-4-(tetrazol-1-ylmethyl)phenol has a molecular weight of 206.21 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(tetrazol-1-ylmethyl)phenol is sourced from PubChem (CID 690246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).