5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole

C16H24N4O — CID 134572299

IUPAC5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole
SMILESCOc1ccc(C(C)(C)c2nn[nH]n2)cc1CC(C)(C)C
InChIInChI=1S/C16H24N4O/c1-15(2,3)10-11-9-12(7-8-13(11)21-6)16(4,5)14-17-19-20-18-14/h7-9H,10H2,1-6H3,(H,17,18,19,20)
InChIKeyUTCDKCTUDOHHQX-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.12
Rot. Bonds4

About 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole

5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole (PubChem CID 134572299) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole
PubChem CID134572299
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole
SMILESCOc1ccc(C(C)(C)c2nn[nH]n2)cc1CC(C)(C)C
InChIInChI=1S/C16H24N4O/c1-15(2,3)10-11-9-12(7-8-13(11)21-6)16(4,5)14-17-19-20-18-14/h7-9H,10H2,1-6H3,(H,17,18,19,20)
InChIKeyUTCDKCTUDOHHQX-UHFFFAOYSA-N
XLogP3.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine
CID 134562866
2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 118484689
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
CID 82126586
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
1-(2,2-dimethylpropyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 130220201
2-(bromomethyl)-4-[2-[3-(bromomethyl)-4-methoxyphenyl]propan-2-yl]-1-methylbenzene
CID 20821575
5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole
CID 95452442
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205811
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
2-[5-[[3-(2,2-dimethylpropyl)-4-methoxyphenyl]methyl]tetrazol-2-yl]acetic acid
CID 134572293

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole?
The IUPAC name of 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole (CID 134572299) is 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole is COc1ccc(C(C)(C)c2nn[nH]n2)cc1CC(C)(C)C.
What is the InChIKey of 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole?
The InChIKey is UTCDKCTUDOHHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-15(2,3)10-11-9-12(7-8-13(11)21-6)16(4,5)14-17-19-20-18-14/h7-9H,10H2,1-6H3,(H,17,18,19,20).
What are the key properties of 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole?
5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole has a molecular weight of 288.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole is sourced from PubChem (CID 134572299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).