(1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol

C8H13ClO — CID 55303591

IUPAC(1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1C[C@H]2CC[C@]1(CCl)C2
InChIInChI=1S/C8H13ClO/c9-5-8-2-1-6(4-8)3-7(8)10/h6-7,10H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyVZLRZSNJJVTLDG-BWZBUEFSSA-N
MW160.64 g/mol
LogP1.78
Rot. Bonds1

About (1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol

(1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 55303591) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is (1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID55303591
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name(1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1C[C@H]2CC[C@]1(CCl)C2
InChIInChI=1S/C8H13ClO/c9-5-8-2-1-6(4-8)3-7(8)10/h6-7,10H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyVZLRZSNJJVTLDG-BWZBUEFSSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 51.78
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,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol (CID 55303591) is (1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol is O[C@@H]1C[C@H]2CC[C@]1(CCl)C2.
What is the InChIKey of (1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is VZLRZSNJJVTLDG-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H13ClO/c9-5-8-2-1-6(4-8)3-7(8)10/h6-7,10H,1-5H2/t6-,7-,8-/m1/s1.
What are the key properties of (1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol?
(1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 160.64 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-1-(chloromethyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 55303591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).