[(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol

C11H13ClO — CID 67865939

IUPAC[(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol
SMILESC[C@@]1(CO)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-11(7-13)6-10(11)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3/t10-,11-/m0/s1
InChIKeyJROJYZWELSIQLN-QWRGUYRKSA-N
MW196.68 g/mol
LogP2.83
Rot. Bonds2

About [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol

[(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol (PubChem CID 67865939) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol
PubChem CID67865939
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name[(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol
SMILESC[C@@]1(CO)C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO/c1-11(7-13)6-10(11)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3/t10-,11-/m0/s1
InChIKeyJROJYZWELSIQLN-QWRGUYRKSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol (CID 67865939) is [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol is C[C@@]1(CO)C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol?
The InChIKey is JROJYZWELSIQLN-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H13ClO/c1-11(7-13)6-10(11)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3/t10-,11-/m0/s1.
What are the key properties of [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol?
[(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol has a molecular weight of 196.68 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(4-chlorophenyl)-1-methylcyclopropyl]methanol is sourced from PubChem (CID 67865939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).