2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol

C19H26FN3O2 — CID 134374561

IUPAC2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol
SMILESCCCc1cnnn1CC(O)(CC)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H26FN3O2/c1-3-5-16-11-21-22-23(16)13-19(24,4-2)15-8-9-17(20)18(10-15)25-12-14-6-7-14/h8-11,14,24H,3-7,12-13H2,1-2H3
InChIKeyILOWFBSDPHTJAK-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.46
Rot. Bonds9

About 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol

2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol (PubChem CID 134374561) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol
PubChem CID134374561
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol
SMILESCCCc1cnnn1CC(O)(CC)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H26FN3O2/c1-3-5-16-11-21-22-23(16)13-19(24,4-2)15-8-9-17(20)18(10-15)25-12-14-6-7-14/h8-11,14,24H,3-7,12-13H2,1-2H3
InChIKeyILOWFBSDPHTJAK-UHFFFAOYSA-N
XLogP3.46
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]butyl]-6-oxo-1H-pyridine-2-carboxylic acid
CID 139460725
3-[4-[3-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]butyl]piperidine-2,6-dione
CID 118863570
6-[4-[3-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]butyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118863567
3-[4-[3-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]butylamino]-3-methylpiperidine-2,6-dione
CID 90273490
2-[5-[3-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]pentyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 148764976
(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-[5-(4-hydroxybutyl)-3-methyl-1,2,4-triazol-1-yl]butan-2-ol
CID 70910105
2-(4-bromobutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one;bis(2-[4-[3-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]triazol-4-yl]butyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one);ethynyl(trimethyl)silane;2-hex-5-ynyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 157349031
1-[4-[3-[(2S)-2-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-hydroxybutyl]triazol-4-yl]butyl]imidazolidine-2,4-dione
CID 153312122
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
N-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]-3-hydroxypropane-1-sulfonamide
CID 134541210
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896
2-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]-3-[2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethyl]-N,N-dimethyl-1H-diazete-4-carboxamide
CID 147940140

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol?
The IUPAC name of 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol (CID 134374561) is 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol is CCCc1cnnn1CC(O)(CC)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol?
The InChIKey is ILOWFBSDPHTJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-5-16-11-21-22-23(16)13-19(24,4-2)15-8-9-17(20)18(10-15)25-12-14-6-7-14/h8-11,14,24H,3-7,12-13H2,1-2H3.
What are the key properties of 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol?
2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol has a molecular weight of 347.43 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-(5-propyltriazol-1-yl)butan-2-ol is sourced from PubChem (CID 134374561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).