5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole

C18H18N4O — CID 125485932

IUPAC5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole
SMILESc1ccc2c(c1)CCC[C@@H]2c1ccc(OCc2nn[nH]n2)cc1
InChIInChI=1S/C18H18N4O/c1-2-6-16-13(4-1)5-3-7-17(16)14-8-10-15(11-9-14)23-12-18-19-21-22-20-18/h1-2,4,6,8-11,17H,3,5,7,12H2,(H,19,20,21,22)/t17-/m1/s1
InChIKeyLOQQOIVQZLWHFE-QGZVFWFLSA-N
MW306.37 g/mol
LogP3.25
Rot. Bonds4

About 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole

5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole (PubChem CID 125485932) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole
PubChem CID125485932
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole
SMILESc1ccc2c(c1)CCC[C@@H]2c1ccc(OCc2nn[nH]n2)cc1
InChIInChI=1S/C18H18N4O/c1-2-6-16-13(4-1)5-3-7-17(16)14-8-10-15(11-9-14)23-12-18-19-21-22-20-18/h1-2,4,6,8-11,17H,3,5,7,12H2,(H,19,20,21,22)/t17-/m1/s1
InChIKeyLOQQOIVQZLWHFE-QGZVFWFLSA-N
XLogP3.25
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole with MolForge

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Related Compounds

5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
5-(2,3-dihydro-1H-inden-1-yl)-2H-tetrazole
CID 14662611
2,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532038
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
CID 148712553
4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
CID 151034122
5-(1,2,3,4-tetrahydronaphthalen-1-yl)tetrazine
CID 66821619
5-[4-(2-aminoethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 146639747
5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 10336968
[(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl] 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoate
CID 70682623

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole?
The IUPAC name of 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole (CID 125485932) is 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole.
What is the SMILES notation for 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole?
The canonical SMILES for 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole is c1ccc2c(c1)CCC[C@@H]2c1ccc(OCc2nn[nH]n2)cc1.
What is the InChIKey of 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole?
The InChIKey is LOQQOIVQZLWHFE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N4O/c1-2-6-16-13(4-1)5-3-7-17(16)14-8-10-15(11-9-14)23-12-18-19-21-22-20-18/h1-2,4,6,8-11,17H,3,5,7,12H2,(H,19,20,21,22)/t17-/m1/s1.
What are the key properties of 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole?
5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole has a molecular weight of 306.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]methyl]-2H-tetrazole is sourced from PubChem (CID 125485932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).