2-(3-chlorophenyl)cyclobutan-1-ol

C10H11ClO — CID 126971921

IUPAC2-(3-chlorophenyl)cyclobutan-1-ol
SMILESOC1CCC1c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO/c11-8-3-1-2-7(6-8)9-4-5-10(9)12/h1-3,6,9-10,12H,4-5H2
InChIKeyIDEGIGZKZAVEJB-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.58
Rot. Bonds1

About 2-(3-chlorophenyl)cyclobutan-1-ol

2-(3-chlorophenyl)cyclobutan-1-ol (PubChem CID 126971921) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 2-(3-chlorophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)cyclobutan-1-ol
PubChem CID126971921
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name2-(3-chlorophenyl)cyclobutan-1-ol
SMILESOC1CCC1c1cccc(Cl)c1
InChIInChI=1S/C10H11ClO/c11-8-3-1-2-7(6-8)9-4-5-10(9)12/h1-3,6,9-10,12H,4-5H2
InChIKeyIDEGIGZKZAVEJB-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)cyclobutan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)cyclobutan-1-ol (CID 126971921) is 2-(3-chlorophenyl)cyclobutan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)cyclobutan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)cyclobutan-1-ol is OC1CCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)cyclobutan-1-ol?
The InChIKey is IDEGIGZKZAVEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c11-8-3-1-2-7(6-8)9-4-5-10(9)12/h1-3,6,9-10,12H,4-5H2.
What are the key properties of 2-(3-chlorophenyl)cyclobutan-1-ol?
2-(3-chlorophenyl)cyclobutan-1-ol has a molecular weight of 182.65 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)cyclobutan-1-ol is sourced from PubChem (CID 126971921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).