[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol

C11H12Cl2O2 — CID 59779155

IUPAC[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol
SMILESOCC1C[C@]1(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O2/c12-9-2-1-7(3-10(9)13)11(6-15)4-8(11)5-14/h1-3,8,14-15H,4-6H2/t8?,11-/m0/s1
InChIKeyHGKKYWDYPAUKAI-LYNSQETBSA-N
MW247.12 g/mol
LogP2.24
Rot. Bonds3

About [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol

[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol (PubChem CID 59779155) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol
PubChem CID59779155
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol
SMILESOCC1C[C@]1(CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2O2/c12-9-2-1-7(3-10(9)13)11(6-15)4-8(11)5-14/h1-3,8,14-15H,4-6H2/t8?,11-/m0/s1
InChIKeyHGKKYWDYPAUKAI-LYNSQETBSA-N
XLogP2.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol?
The IUPAC name of [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol (CID 59779155) is [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol.
What is the SMILES notation for [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol?
The canonical SMILES for [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol is OCC1C[C@]1(CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol?
The InChIKey is HGKKYWDYPAUKAI-LYNSQETBSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c12-9-2-1-7(3-10(9)13)11(6-15)4-8(11)5-14/h1-3,8,14-15H,4-6H2/t8?,11-/m0/s1.
What are the key properties of [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol?
[(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol has a molecular weight of 247.12 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3,4-dichlorophenyl)-2-(hydroxymethyl)cyclopropyl]methanol is sourced from PubChem (CID 59779155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).