(4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol

C9H10N4O2 — CID 134897503

IUPAC(4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol
SMILESCOc1ccc(C(O)c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4O2/c1-15-7-4-2-6(3-5-7)8(14)9-10-12-13-11-9/h2-5,8,14H,1H3,(H,10,11,12,13)
InChIKeyNPIVILBDIRNQSF-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.29
Rot. Bonds3

About (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol

(4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol (PubChem CID 134897503) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol
PubChem CID134897503
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name(4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol
SMILESCOc1ccc(C(O)c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4O2/c1-15-7-4-2-6(3-5-7)8(14)9-10-12-13-11-9/h2-5,8,14H,1H3,(H,10,11,12,13)
InChIKeyNPIVILBDIRNQSF-UHFFFAOYSA-N
XLogP0.29
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)propanoate
CID 112511636
[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 135238899
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate
CID 175117107
(R)-(5-benzyl-1H-1,2,4-triazol-3-yl)-(4-methoxyphenyl)methanol
CID 95122673
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171040
[5-[hydroxy-(4-methoxyphenyl)methyl]furan-2-yl]-(4-methoxyphenyl)methanol
CID 141159898
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
2H-tetrazol-5-yl-(2,4,6-trimethoxyphenyl)methanamine
CID 61149467
3-[3-[(4-methoxyphenyl)methyl]-1H-pyrrol-2-yl]-1-(2H-tetrazol-5-yl)prop-2-en-1-ol
CID 141025235
[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate
CID 175120108

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol?
The IUPAC name of (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol (CID 134897503) is (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol.
What is the SMILES notation for (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol?
The canonical SMILES for (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol is COc1ccc(C(O)c2nn[nH]n2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol?
The InChIKey is NPIVILBDIRNQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-15-7-4-2-6(3-5-7)8(14)9-10-12-13-11-9/h2-5,8,14H,1H3,(H,10,11,12,13).
What are the key properties of (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol?
(4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol has a molecular weight of 206.20 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol is sourced from PubChem (CID 134897503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).