[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol

C15H15N3O3S — CID 94938175

IUPAC[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(CO)c2-c2cccs2)c(OC)c1
InChIInChI=1S/C15H15N3O3S/c1-20-10-5-6-12(13(8-10)21-2)18-15(11(9-19)16-17-18)14-4-3-7-22-14/h3-8,19H,9H2,1-2H3
InChIKeyBVKUEBWNHWROGD-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.51
Rot. Bonds5

About [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol

[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol (PubChem CID 94938175) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
PubChem CID94938175
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(CO)c2-c2cccs2)c(OC)c1
InChIInChI=1S/C15H15N3O3S/c1-20-10-5-6-12(13(8-10)21-2)18-15(11(9-19)16-17-18)14-4-3-7-22-14/h3-8,19H,9H2,1-2H3
InChIKeyBVKUEBWNHWROGD-UHFFFAOYSA-N
XLogP2.51
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(4-chloro-2-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94935792
[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
CID 82197872
[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82200714
[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 94962827
[1-(3-methylsulfanylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 82200897
[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82197918
[1-(4-butylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94936106
N-[3-[4-(hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]phenyl]acetamide
CID 94938963
[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197909
1-(2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbaldehyde
CID 82199012
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
CID 62737017
1-(5-chloro-2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbonitrile
CID 94938759

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol (CID 94938175) is [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol is COc1ccc(-n2nnc(CO)c2-c2cccs2)c(OC)c1.
What is the InChIKey of [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The InChIKey is BVKUEBWNHWROGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-20-10-5-6-12(13(8-10)21-2)18-15(11(9-19)16-17-18)14-4-3-7-22-14/h3-8,19H,9H2,1-2H3.
What are the key properties of [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol has a molecular weight of 317.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 94938175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).