trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol

C19H21N3O2 — CID 134849945

IUPACtrans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol
SMILESCOc1ccc2ccccc2c1-c1cn([C@H]2CCCC[C@@H]2O)nn1
InChIInChI=1S/C19H21N3O2/c1-24-18-11-10-13-6-2-3-7-14(13)19(18)15-12-22(21-20-15)16-8-4-5-9-17(16)23/h2-3,6-7,10-12,16-17,23H,4-5,8-9H2,1H3/t16-,17-/m0/s1
InChIKeyWYEGZGQQJMEFCI-IRXDYDNUSA-N
MW323.40 g/mol
LogP3.58
Rot. Bonds3

About trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol

trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol (PubChem CID 134849945) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol
PubChem CID134849945
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Nametrans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol
SMILESCOc1ccc2ccccc2c1-c1cn([C@H]2CCCC[C@@H]2O)nn1
InChIInChI=1S/C19H21N3O2/c1-24-18-11-10-13-6-2-3-7-14(13)19(18)15-12-22(21-20-15)16-8-4-5-9-17(16)23/h2-3,6-7,10-12,16-17,23H,4-5,8-9H2,1H3/t16-,17-/m0/s1
InChIKeyWYEGZGQQJMEFCI-IRXDYDNUSA-N
XLogP3.58
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol
CID 24970946
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
2-dicyclohexylphosphoryl-4-methoxy-3-(2-methoxynaphthalen-1-yl)naphthalen-1-ol
CID 127262784
6-(2-methoxynaphthalen-1-yl)-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137722
2-(2-methoxynaphthalen-1-yl)pyrazine
CID 102284148
1,3-bis[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-2H-benzimidazole
CID 18736755
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
CID 10952722
1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene
CID 173098398
2-(4-methyltriazol-1-yl)cyclopentan-1-ol
CID 77393104
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
(1S,2R)-2-[4-(4-methoxyphenyl)triazol-1-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 134957340
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol (CID 134849945) is trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol is COc1ccc2ccccc2c1-c1cn([C@H]2CCCC[C@@H]2O)nn1.
What is the InChIKey of trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol?
The InChIKey is WYEGZGQQJMEFCI-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-24-18-11-10-13-6-2-3-7-14(13)19(18)15-12-22(21-20-15)16-8-4-5-9-17(16)23/h2-3,6-7,10-12,16-17,23H,4-5,8-9H2,1H3/t16-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol?
trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol has a molecular weight of 323.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-(2-methoxynaphthalen-1-yl)triazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 134849945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).