2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol

C18H19Cl2FN2O2 — CID 142699112

IUPAC2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol
SMILESOC1CCCC1Oc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl
InChIInChI=1S/C18H19Cl2FN2O2/c19-11-8-12(21)14(9-17(11)25-16-7-3-6-15(16)24)23-18(20)10-4-1-2-5-13(10)22-23/h8-9,15-16,24H,1-7H2
InChIKeyLIRIQGHFKOEBMQ-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.49
Rot. Bonds3

About 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol

2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol (PubChem CID 142699112) has the molecular formula C18H19Cl2FN2O2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol
PubChem CID142699112
Molecular FormulaC18H19Cl2FN2O2
Molecular Weight385.27 g/mol
Exact Mass384.08
IUPAC Name2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol
SMILESOC1CCCC1Oc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl
InChIInChI=1S/C18H19Cl2FN2O2/c19-11-8-12(21)14(9-17(11)25-16-7-3-6-15(16)24)23-18(20)10-4-1-2-5-13(10)22-23/h8-9,15-16,24H,1-7H2
InChIKeyLIRIQGHFKOEBMQ-UHFFFAOYSA-N
XLogP4.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol with MolForge

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Related Compounds

3-chloro-2-[4-chloro-2-fluoro-5-(methoxymethoxy)phenyl]-4,5,6,7-tetrahydroindazole
CID 70461309
[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenyl] propanoate
CID 19745697
3-chloro-2-(2,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66016707
3-[2-chloro-4-fluoro-5-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)phenoxy]butan-2-ol
CID 163538569
3-chloro-2-(2,4-difluoro-5-nitrophenyl)-4,5,6,7-tetrahydroindazole
CID 14625290
2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
CID 60728681
3-chloro-2-(3,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole
CID 66022173
5-[[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]methyl]-5-methyl-3-(2-nitrophenyl)-4H-1,2-oxazole
CID 21201296
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
3-chloro-2-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66021756
trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
CID 102732681
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol (CID 142699112) is 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol is OC1CCCC1Oc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl.
What is the InChIKey of 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol?
The InChIKey is LIRIQGHFKOEBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O2/c19-11-8-12(21)14(9-17(11)25-16-7-3-6-15(16)24)23-18(20)10-4-1-2-5-13(10)22-23/h8-9,15-16,24H,1-7H2.
What are the key properties of 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol?
2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol has a molecular weight of 385.27 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-fluorophenoxy]cyclopentan-1-ol is sourced from PubChem (CID 142699112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).