2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol

C13H15Cl2N3O — CID 127051530

IUPAC2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol
SMILESCCc1c(CCO)nnn1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-2-13-12(3-4-19)16-17-18(13)8-9-5-10(14)7-11(15)6-9/h5-7,19H,2-4,8H2,1H3
InChIKeyFNAQITXSNOFQHU-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.73
Rot. Bonds5

About 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol

2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol (PubChem CID 127051530) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol
PubChem CID127051530
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol
SMILESCCc1c(CCO)nnn1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-2-13-12(3-4-19)16-17-18(13)8-9-5-10(14)7-11(15)6-9/h5-7,19H,2-4,8H2,1H3
InChIKeyFNAQITXSNOFQHU-UHFFFAOYSA-N
XLogP2.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol (CID 127051530) is 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol is CCc1c(CCO)nnn1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol?
The InChIKey is FNAQITXSNOFQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-2-13-12(3-4-19)16-17-18(13)8-9-5-10(14)7-11(15)6-9/h5-7,19H,2-4,8H2,1H3.
What are the key properties of 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol?
2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol has a molecular weight of 300.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]ethanol is sourced from PubChem (CID 127051530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).