[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol

C16H21N3O4 — CID 134134365

IUPAC[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cn(C[C@H]3COC(C)(C)O3)nn2)cc1
InChIInChI=1S/C16H21N3O4/c1-16(2)22-10-13(23-16)8-19-9-14(17-18-19)15(20)11-4-6-12(21-3)7-5-11/h4-7,9,13,15,20H,8,10H2,1-3H3/t13-,15?/m0/s1
InChIKeyGKVKVPIUOWDCEV-CFMCSPIPSA-N
MW319.36 g/mol
LogP1.52
Rot. Bonds5

About [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol

[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol (PubChem CID 134134365) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol
PubChem CID134134365
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cn(C[C@H]3COC(C)(C)O3)nn2)cc1
InChIInChI=1S/C16H21N3O4/c1-16(2)22-10-13(23-16)8-19-9-14(17-18-19)15(20)11-4-6-12(21-3)7-5-11/h4-7,9,13,15,20H,8,10H2,1-3H3/t13-,15?/m0/s1
InChIKeyGKVKVPIUOWDCEV-CFMCSPIPSA-N
XLogP1.52
TPSA78.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methanol Triazol Ethyl Phenyl 1o-Alpha-D-Mannopyranoside
CID 57339139
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[2-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]ethoxy]oxane-3,4,5-triol
CID 57397424
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
CID 57399085
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
CID 57402584
1-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176208
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(4-(111C)methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol
CID 44537937
[(2R,3R,4aS,6R,8aS)-3-[4-(methoxymethyl)triazol-1-yl]-2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]methanol
CID 60183765
[(2R,3R,4aS,6S,8aS)-3-[4-(methoxymethyl)triazol-1-yl]-2-[2-[4-(4-methoxyphenyl)phenyl]ethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]methanol
CID 60194046
4-(4-Methoxyphenyl)-1-|A-D-ribofuranosyl-1H-1,2,3-triazole
CID 44444756
(1-Benzyltriazol-4-yl)-(2,2-dimethylchromen-6-yl)methanol
CID 56672573
[4-[(2,2-dimethylchromen-6-yl)-hydroxymethyl]triazol-1-yl]methyl N,N-diethylcarbamate
CID 56679255
(1-Tert-butyltriazol-4-yl)-(2,2-dimethylchromen-6-yl)methanol
CID 56682563

Frequently Asked Questions

What is the IUPAC name of [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol?
The IUPAC name of [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol (CID 134134365) is [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2cn(C[C@H]3COC(C)(C)O3)nn2)cc1.
What is the InChIKey of [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol?
The InChIKey is GKVKVPIUOWDCEV-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2)22-10-13(23-16)8-19-9-14(17-18-19)15(20)11-4-6-12(21-3)7-5-11/h4-7,9,13,15,20H,8,10H2,1-3H3/t13-,15?/m0/s1.
What are the key properties of [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol?
[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol has a molecular weight of 319.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 134134365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).