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

C5H9ClO — CID 70214472

IUPAC[(1S,2R)-2-chloro-1-methylcyclopropyl]methanol
SMILESC[C@@]1(CO)C[C@H]1Cl
InChIInChI=1S/C5H9ClO/c1-5(3-7)2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyFHUUKNMFMFABSL-UHNVWZDZSA-N
MW120.58 g/mol
LogP1.00
Rot. Bonds1

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

[(1S,2R)-2-chloro-1-methylcyclopropyl]methanol (PubChem CID 70214472) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is [(1S,2R)-2-chloro-1-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-chloro-1-methylcyclopropyl]methanol
PubChem CID70214472
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name[(1S,2R)-2-chloro-1-methylcyclopropyl]methanol
SMILESC[C@@]1(CO)C[C@H]1Cl
InChIInChI=1S/C5H9ClO/c1-5(3-7)2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyFHUUKNMFMFABSL-UHNVWZDZSA-N
XLogP1.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.00
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-chloro-1-methylcyclopropyl]methanol?
The IUPAC name of [(1S,2R)-2-chloro-1-methylcyclopropyl]methanol (CID 70214472) is [(1S,2R)-2-chloro-1-methylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2R)-2-chloro-1-methylcyclopropyl]methanol?
The canonical SMILES for [(1S,2R)-2-chloro-1-methylcyclopropyl]methanol is C[C@@]1(CO)C[C@H]1Cl.
What is the InChIKey of [(1S,2R)-2-chloro-1-methylcyclopropyl]methanol?
The InChIKey is FHUUKNMFMFABSL-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H9ClO/c1-5(3-7)2-4(5)6/h4,7H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of [(1S,2R)-2-chloro-1-methylcyclopropyl]methanol?
[(1S,2R)-2-chloro-1-methylcyclopropyl]methanol has a molecular weight of 120.58 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-chloro-1-methylcyclopropyl]methanol is sourced from PubChem (CID 70214472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).