[1-(3-chloropropyl)cyclobutyl]methanol

C8H15ClO — CID 55298559

IUPAC[1-(3-chloropropyl)cyclobutyl]methanol
SMILESOCC1(CCCCl)CCC1
InChIInChI=1S/C8H15ClO/c9-6-2-5-8(7-10)3-1-4-8/h10H,1-7H2
InChIKeyJIIPVPHZEFRDIP-UHFFFAOYSA-N
MW162.66 g/mol
LogP2.17
Rot. Bonds4

About [1-(3-chloropropyl)cyclobutyl]methanol

[1-(3-chloropropyl)cyclobutyl]methanol (PubChem CID 55298559) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is [1-(3-chloropropyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(3-chloropropyl)cyclobutyl]methanol
PubChem CID55298559
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name[1-(3-chloropropyl)cyclobutyl]methanol
SMILESOCC1(CCCCl)CCC1
InChIInChI=1S/C8H15ClO/c9-6-2-5-8(7-10)3-1-4-8/h10H,1-7H2
InChIKeyJIIPVPHZEFRDIP-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-(3-chloropropyl)cyclobutyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

(1-butylcyclobutyl)methanol
CID 12786214
(1-hexylcyclohexyl)methanol
CID 66024993
3-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propane-1-sulfonamide
CID 103968261
[1-(3,3-dimethylbutyl)cyclobutyl]methanol
CID 66023658
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 103966027
[1-(chloromethyl)cyclopropyl]methanol
CID 12920386
6a-(3-hydroxypropyl)-1,2,3,4,5,6-hexahydropentalen-3a-ol
CID 15182683
1-(3-chloropropyl)cyclopropane-1-carboxylic acid
CID 130514627
[1-(3-phenylmethoxypropyl)cyclobutyl]methanol
CID 11264817
[1-(2-phenylethyl)cyclobutyl]methanol
CID 58979662

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloropropyl)cyclobutyl]methanol?
The IUPAC name of [1-(3-chloropropyl)cyclobutyl]methanol (CID 55298559) is [1-(3-chloropropyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(3-chloropropyl)cyclobutyl]methanol?
The canonical SMILES for [1-(3-chloropropyl)cyclobutyl]methanol is OCC1(CCCCl)CCC1.
What is the InChIKey of [1-(3-chloropropyl)cyclobutyl]methanol?
The InChIKey is JIIPVPHZEFRDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO/c9-6-2-5-8(7-10)3-1-4-8/h10H,1-7H2.
What are the key properties of [1-(3-chloropropyl)cyclobutyl]methanol?
[1-(3-chloropropyl)cyclobutyl]methanol has a molecular weight of 162.66 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloropropyl)cyclobutyl]methanol is sourced from PubChem (CID 55298559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).