1-(dichloromethyl)cyclobutan-1-ol

C5H8Cl2O — CID 175326256

IUPAC1-(dichloromethyl)cyclobutan-1-ol
SMILESOC1(C(Cl)Cl)CCC1
InChIInChI=1S/C5H8Cl2O/c6-4(7)5(8)2-1-3-5/h4,8H,1-3H2
InChIKeyNKYFVTPIQYDFLP-UHFFFAOYSA-N
MW155.02 g/mol
LogP1.71
Rot. Bonds1

About 1-(dichloromethyl)cyclobutan-1-ol

1-(dichloromethyl)cyclobutan-1-ol (PubChem CID 175326256) has the molecular formula C5H8Cl2O and a molecular weight of 155.02 g/mol. Its IUPAC name is 1-(dichloromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(dichloromethyl)cyclobutan-1-ol
PubChem CID175326256
Molecular FormulaC5H8Cl2O
Molecular Weight155.02 g/mol
Exact Mass154.00
IUPAC Name1-(dichloromethyl)cyclobutan-1-ol
SMILESOC1(C(Cl)Cl)CCC1
InChIInChI=1S/C5H8Cl2O/c6-4(7)5(8)2-1-3-5/h4,8H,1-3H2
InChIKeyNKYFVTPIQYDFLP-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(dichloromethyl)cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)cyclobutan-1-ol?
The IUPAC name of 1-(dichloromethyl)cyclobutan-1-ol (CID 175326256) is 1-(dichloromethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(dichloromethyl)cyclobutan-1-ol?
The canonical SMILES for 1-(dichloromethyl)cyclobutan-1-ol is OC1(C(Cl)Cl)CCC1.
What is the InChIKey of 1-(dichloromethyl)cyclobutan-1-ol?
The InChIKey is NKYFVTPIQYDFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O/c6-4(7)5(8)2-1-3-5/h4,8H,1-3H2.
What are the key properties of 1-(dichloromethyl)cyclobutan-1-ol?
1-(dichloromethyl)cyclobutan-1-ol has a molecular weight of 155.02 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)cyclobutan-1-ol is sourced from PubChem (CID 175326256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).