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

C17H15BrCl2O — CID 101066570

IUPAC[(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol
SMILESC[C@@]1(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@H]1Br
InChIInChI=1S/C17H15BrCl2O/c1-16(10-15(16)18)17(21,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-9,15,21H,10H2,1H3/t15-,16-/m1/s1
InChIKeyJKZFQNLAXQMICR-HZPDHXFCSA-N
MW386.12 g/mol
LogP5.40
Rot. Bonds3

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

[(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol (PubChem CID 101066570) has the molecular formula C17H15BrCl2O and a molecular weight of 386.12 g/mol. Its IUPAC name is [(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol.

Molecular Properties

Compound Name[(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol
PubChem CID101066570
Molecular FormulaC17H15BrCl2O
Molecular Weight386.12 g/mol
Exact Mass383.97
IUPAC Name[(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol
SMILESC[C@@]1(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@H]1Br
InChIInChI=1S/C17H15BrCl2O/c1-16(10-15(16)18)17(21,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-9,15,21H,10H2,1H3/t15-,16-/m1/s1
InChIKeyJKZFQNLAXQMICR-HZPDHXFCSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.12
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol?
The IUPAC name of [(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol (CID 101066570) is [(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol.
What is the SMILES notation for [(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol?
The canonical SMILES for [(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol is C[C@@]1(C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C[C@H]1Br.
What is the InChIKey of [(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol?
The InChIKey is JKZFQNLAXQMICR-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H15BrCl2O/c1-16(10-15(16)18)17(21,11-2-6-13(19)7-3-11)12-4-8-14(20)9-5-12/h2-9,15,21H,10H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol?
[(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol has a molecular weight of 386.12 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-bromo-1-methylcyclopropyl]-bis(4-chlorophenyl)methanol is sourced from PubChem (CID 101066570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).