5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole

C11H14N4O — CID 160520580

IUPAC5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole
SMILESCOc1ccc(C[C@H](C)c2nn[nH]n2)cc1
InChIInChI=1S/C11H14N4O/c1-8(11-12-14-15-13-11)7-9-3-5-10(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13,14,15)/t8-/m0/s1
InChIKeyQUFHAEOMAWZZRV-QMMMGPOBSA-N
MW218.26 g/mol
LogP1.55
Rot. Bonds4

About 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole

5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole (PubChem CID 160520580) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole
PubChem CID160520580
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole
SMILESCOc1ccc(C[C@H](C)c2nn[nH]n2)cc1
InChIInChI=1S/C11H14N4O/c1-8(11-12-14-15-13-11)7-9-3-5-10(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13,14,15)/t8-/m0/s1
InChIKeyQUFHAEOMAWZZRV-QMMMGPOBSA-N
XLogP1.55
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate
CID 175117107
(4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol
CID 134897503
[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate
CID 175120108
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole
CID 158021450
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603040
N-(3-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603044

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole?
The IUPAC name of 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole (CID 160520580) is 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole is COc1ccc(C[C@H](C)c2nn[nH]n2)cc1.
What is the InChIKey of 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole?
The InChIKey is QUFHAEOMAWZZRV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(11-12-14-15-13-11)7-9-3-5-10(16-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,12,13,14,15)/t8-/m0/s1.
What are the key properties of 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole?
5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole has a molecular weight of 218.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole is sourced from PubChem (CID 160520580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).