3-amino-3-(4-chlorophenyl)cyclobutan-1-ol

C10H12ClNO — CID 95498243

IUPAC3-amino-3-(4-chlorophenyl)cyclobutan-1-ol
SMILESNC1(c2ccc(Cl)cc2)CC(O)C1
InChIInChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10(12)5-9(13)6-10/h1-4,9,13H,5-6,12H2
InChIKeyGXYJVPQFSRJBFI-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.65
Rot. Bonds1

About 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol

3-amino-3-(4-chlorophenyl)cyclobutan-1-ol (PubChem CID 95498243) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-chlorophenyl)cyclobutan-1-ol
PubChem CID95498243
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-amino-3-(4-chlorophenyl)cyclobutan-1-ol
SMILESNC1(c2ccc(Cl)cc2)CC(O)C1
InChIInChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10(12)5-9(13)6-10/h1-4,9,13H,5-6,12H2
InChIKeyGXYJVPQFSRJBFI-UHFFFAOYSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol (CID 95498243) is 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol is NC1(c2ccc(Cl)cc2)CC(O)C1.
What is the InChIKey of 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol?
The InChIKey is GXYJVPQFSRJBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10(12)5-9(13)6-10/h1-4,9,13H,5-6,12H2.
What are the key properties of 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol?
3-amino-3-(4-chlorophenyl)cyclobutan-1-ol has a molecular weight of 197.67 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-chlorophenyl)cyclobutan-1-ol is sourced from PubChem (CID 95498243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).