cyclobutyl-(2,3-dichlorophenyl)methanol

C11H12Cl2O — CID 64986948

IUPACcyclobutyl-(2,3-dichlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1Cl)C1CCC1
InChIInChI=1S/C11H12Cl2O/c12-9-6-2-5-8(10(9)13)11(14)7-3-1-4-7/h2,5-7,11,14H,1,3-4H2
InChIKeyGNECQZJNJJYDEM-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.83
Rot. Bonds2

About cyclobutyl-(2,3-dichlorophenyl)methanol

cyclobutyl-(2,3-dichlorophenyl)methanol (PubChem CID 64986948) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is cyclobutyl-(2,3-dichlorophenyl)methanol.

Molecular Properties

Compound Namecyclobutyl-(2,3-dichlorophenyl)methanol
PubChem CID64986948
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Namecyclobutyl-(2,3-dichlorophenyl)methanol
SMILESOC(c1cccc(Cl)c1Cl)C1CCC1
InChIInChI=1S/C11H12Cl2O/c12-9-6-2-5-8(10(9)13)11(14)7-3-1-4-7/h2,5-7,11,14H,1,3-4H2
InChIKeyGNECQZJNJJYDEM-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,3-dichlorophenyl)methanol?
The IUPAC name of cyclobutyl-(2,3-dichlorophenyl)methanol (CID 64986948) is cyclobutyl-(2,3-dichlorophenyl)methanol.
What is the SMILES notation for cyclobutyl-(2,3-dichlorophenyl)methanol?
The canonical SMILES for cyclobutyl-(2,3-dichlorophenyl)methanol is OC(c1cccc(Cl)c1Cl)C1CCC1.
What is the InChIKey of cyclobutyl-(2,3-dichlorophenyl)methanol?
The InChIKey is GNECQZJNJJYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c12-9-6-2-5-8(10(9)13)11(14)7-3-1-4-7/h2,5-7,11,14H,1,3-4H2.
What are the key properties of cyclobutyl-(2,3-dichlorophenyl)methanol?
cyclobutyl-(2,3-dichlorophenyl)methanol has a molecular weight of 231.12 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,3-dichlorophenyl)methanol is sourced from PubChem (CID 64986948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).