1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol

C13H16Cl2O — CID 103564302

IUPAC1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H16Cl2O/c1-8(2)9-6-13(16,7-9)11-5-10(14)3-4-12(11)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyDHFGWFPYUIPOAO-UHFFFAOYSA-N
MW259.18 g/mol
LogP4.25
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol

1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol (PubChem CID 103564302) has the molecular formula C13H16Cl2O and a molecular weight of 259.18 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol
PubChem CID103564302
Molecular FormulaC13H16Cl2O
Molecular Weight259.18 g/mol
Exact Mass258.06
IUPAC Name1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H16Cl2O/c1-8(2)9-6-13(16,7-9)11-5-10(14)3-4-12(11)15/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyDHFGWFPYUIPOAO-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-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-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol (CID 103564302) is 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol is CC(C)C1CC(O)(c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is DHFGWFPYUIPOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O/c1-8(2)9-6-13(16,7-9)11-5-10(14)3-4-12(11)15/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol?
1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 259.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 103564302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).