2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol

C16H16N4O2 — CID 10518033

IUPAC2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C16H16N4O2/c21-11-10-20-18-16(17-19-20)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,21H,10-12H2
InChIKeyZQQMCPMRGQMXQX-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.91
Rot. Bonds6

About 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol

2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol (PubChem CID 10518033) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol
PubChem CID10518033
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C16H16N4O2/c21-11-10-20-18-16(17-19-20)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,21H,10-12H2
InChIKeyZQQMCPMRGQMXQX-UHFFFAOYSA-N
XLogP1.91
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
CID 83535370
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
2-[5-[4-[(2-chlorophenyl)methoxy]phenyl]tetrazol-2-yl]acetic Acid
CID 7357333
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10569117
N,N-dimethyl-5-(4-phenoxyphenyl)tetrazole-2-carboxamide
CID 72197623
(3R)-3-amino-4-[5-[4-(2-phenylethoxy)phenyl]tetrazol-2-yl]butanoic acid
CID 118191834
1-(4-Octylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-one
CID 153933308
2-Benzyl-5-(4-methoxy-phenyl)-2H-tetrazole
CID 6491488

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol (CID 10518033) is 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol?
The InChIKey is ZQQMCPMRGQMXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-11-10-20-18-16(17-19-20)14-6-8-15(9-7-14)22-12-13-4-2-1-3-5-13/h1-9,21H,10-12H2.
What are the key properties of 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol?
2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol has a molecular weight of 296.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]ethanol is sourced from PubChem (CID 10518033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).