(1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol

C19H19N3O2 — CID 134957340

IUPAC(1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc(-c2cn([C@@H]3CCc4ccccc4[C@@H]3O)nn2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-15-9-6-14(7-10-15)17-12-22(21-20-17)18-11-8-13-4-2-3-5-16(13)19(18)23/h2-7,9-10,12,18-19,23H,8,11H2,1H3/t18-,19+/m1/s1
InChIKeyUSYKERHPLCZGJU-MOPGFXCFSA-N
MW321.38 g/mol
LogP3.17
Rot. Bonds3

About (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol

(1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 134957340) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID134957340
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc(-c2cn([C@@H]3CCc4ccccc4[C@@H]3O)nn2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-15-9-6-14(7-10-15)17-12-22(21-20-17)18-11-8-13-4-2-3-5-16(13)19(18)23/h2-7,9-10,12,18-19,23H,8,11H2,1H3/t18-,19+/m1/s1
InChIKeyUSYKERHPLCZGJU-MOPGFXCFSA-N
XLogP3.17
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R)-2-(4-hexyltriazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 134957612
trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol
CID 24970946
(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 10563844
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
3-(4-methoxyphenyl)-3a,4,5,9b-tetrahydrobenzo[g][1,2]benzoxazole
CID 71398420
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
1-(2-methylsulfanylcyclohexyl)-4-phenyltriazole
CID 102494805
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-[4-(4-methoxyphenyl)triazol-1-yl]-6-methylsulfanyloxane-3,5-diol
CID 11675040
cyclohexyl-[(2R,4R,5R)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 46903079
cyclohexyl-[(2R,4S,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 46902565
cyclohexyl-[5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxy-2-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 75248187

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 134957340) is (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc(-c2cn([C@@H]3CCc4ccccc4[C@@H]3O)nn2)cc1.
What is the InChIKey of (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is USYKERHPLCZGJU-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-15-9-6-14(7-10-15)17-12-22(21-20-17)18-11-8-13-4-2-3-5-16(13)19(18)23/h2-7,9-10,12,18-19,23H,8,11H2,1H3/t18-,19+/m1/s1.
What are the key properties of (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 321.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 134957340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).