2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol

C20H19ClFN3O2 — CID 59216099

IUPAC2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol
SMILESCn1c(-c2ccc(OCCO)cc2Cl)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19ClFN3O2/c1-25-18(16-7-6-15(12-17(16)21)27-11-10-26)23-24-19(25)20(8-9-20)13-2-4-14(22)5-3-13/h2-7,12,26H,8-11H2,1H3
InChIKeyIPICITIKHVREKC-UHFFFAOYSA-N
MW387.84 g/mol
LogP3.73
Rot. Bonds6

About 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol

2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol (PubChem CID 59216099) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol
PubChem CID59216099
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol
SMILESCn1c(-c2ccc(OCCO)cc2Cl)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H19ClFN3O2/c1-25-18(16-7-6-15(12-17(16)21)27-11-10-26)23-24-19(25)20(8-9-20)13-2-4-14(22)5-3-13/h2-7,12,26H,8-11H2,1H3
InChIKeyIPICITIKHVREKC-UHFFFAOYSA-N
XLogP3.73
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol with MolForge

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Related Compounds

3-(2-chloro-4-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole;hydrochloride
CID 162314574
N-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]-N-(2-hydroxyethyl)formamide
CID 143046748
2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]anilino]acetamide
CID 59216239
3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]benzoic acid
CID 59216086
methyl 1-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]piperidine-4-carboxylate
CID 59216060
3-(2-chlorophenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazole
CID 7690305
3-[2-chloro-4-(2-methylsulfanylimidazol-1-yl)phenyl]-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole
CID 44576942
2-[4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazol-3-yl]phenoxy]acetamide
CID 59216065
3-(2-chlorophenyl)-5-[3-(4-fluorophenoxy)propylsulfanyl]-4-methyl-1,2,4-triazole
CID 55309077
3-(3,5-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-propan-2-yl-1,2,4-triazole
CID 59216250
2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
CID 163407569
(1R)-1-[5-(2-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]ethanol
CID 58243491

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol?
The IUPAC name of 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol (CID 59216099) is 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol?
The canonical SMILES for 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol is Cn1c(-c2ccc(OCCO)cc2Cl)nnc1C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol?
The InChIKey is IPICITIKHVREKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-25-18(16-7-6-15(12-17(16)21)27-11-10-26)23-24-19(25)20(8-9-20)13-2-4-14(22)5-3-13/h2-7,12,26H,8-11H2,1H3.
What are the key properties of 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol?
2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol has a molecular weight of 387.84 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazol-3-yl]phenoxy]ethanol is sourced from PubChem (CID 59216099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).