3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol

C12H12ClNO2 — CID 114724352

IUPAC3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol
SMILESNC1CC(O)(c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C12H12ClNO2/c13-9-3-1-2-7-4-10(16-11(7)9)12(15)5-8(14)6-12/h1-4,8,15H,5-6,14H2
InChIKeyAWCOPXXDQCDVFV-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.39
Rot. Bonds1

About 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol

3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol (PubChem CID 114724352) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol
PubChem CID114724352
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol
SMILESNC1CC(O)(c2cc3cccc(Cl)c3o2)C1
InChIInChI=1S/C12H12ClNO2/c13-9-3-1-2-7-4-10(16-11(7)9)12(15)5-8(14)6-12/h1-4,8,15H,5-6,14H2
InChIKeyAWCOPXXDQCDVFV-UHFFFAOYSA-N
XLogP2.39
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-chloro-1-benzofuran-2-yl)-3-methylcyclopentan-1-amine
CID 114733656
1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol
CID 114723977
3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine
CID 114736013
3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114733667
(7-chloro-1-benzofuran-2-yl)methanamine
CID 65441087
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415
3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
CID 114724418
7-chloro-2-(3-chloro-5,5-dimethylcyclohexen-1-yl)-1-benzofuran
CID 114734014

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol (CID 114724352) is 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol is NC1CC(O)(c2cc3cccc(Cl)c3o2)C1.
What is the InChIKey of 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol?
The InChIKey is AWCOPXXDQCDVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-9-3-1-2-7-4-10(16-11(7)9)12(15)5-8(14)6-12/h1-4,8,15H,5-6,14H2.
What are the key properties of 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol?
3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol has a molecular weight of 237.69 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 114724352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).