(1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol

C13H15BrO — CID 163652150

IUPAC(1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol
SMILESC[C@@]1(O)CCC/C1=C\c1ccccc1Br
InChIInChI=1S/C13H15BrO/c1-13(15)8-4-6-11(13)9-10-5-2-3-7-12(10)14/h2-3,5,7,9,15H,4,6,8H2,1H3/b11-9+/t13-/m1/s1
InChIKeyINCCCZHEONVGRU-YGNAEDSMSA-N
MW267.17 g/mol
LogP3.77
Rot. Bonds1

About (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol

(1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol (PubChem CID 163652150) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol
PubChem CID163652150
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name(1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol
SMILESC[C@@]1(O)CCC/C1=C\c1ccccc1Br
InChIInChI=1S/C13H15BrO/c1-13(15)8-4-6-11(13)9-10-5-2-3-7-12(10)14/h2-3,5,7,9,15H,4,6,8H2,1H3/b11-9+/t13-/m1/s1
InChIKeyINCCCZHEONVGRU-YGNAEDSMSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol?
The IUPAC name of (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol (CID 163652150) is (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol.
What is the SMILES notation for (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol?
The canonical SMILES for (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol is C[C@@]1(O)CCC/C1=C\c1ccccc1Br.
What is the InChIKey of (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol?
The InChIKey is INCCCZHEONVGRU-YGNAEDSMSA-N. The full InChI is InChI=1S/C13H15BrO/c1-13(15)8-4-6-11(13)9-10-5-2-3-7-12(10)14/h2-3,5,7,9,15H,4,6,8H2,1H3/b11-9+/t13-/m1/s1.
What are the key properties of (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol?
(1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol has a molecular weight of 267.17 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E)-2-[(2-bromophenyl)methylidene]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 163652150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).