(2-chlorocyclopropyl)methanol

C4H7ClO — CID 13399521

IUPAC(2-chlorocyclopropyl)methanol
SMILESOCC1CC1Cl
InChIInChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2
InChIKeyFXUQPSPDDULYHZ-UHFFFAOYSA-N
MW106.55 g/mol
LogP0.61
Rot. Bonds1

About (2-chlorocyclopropyl)methanol

(2-chlorocyclopropyl)methanol (PubChem CID 13399521) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is (2-chlorocyclopropyl)methanol.

Molecular Properties

Compound Name(2-chlorocyclopropyl)methanol
PubChem CID13399521
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name(2-chlorocyclopropyl)methanol
SMILESOCC1CC1Cl
InChIInChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2
InChIKeyFXUQPSPDDULYHZ-UHFFFAOYSA-N
XLogP0.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 50.61
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 (2-chlorocyclopropyl)methanol?
The IUPAC name of (2-chlorocyclopropyl)methanol (CID 13399521) is (2-chlorocyclopropyl)methanol.
What is the SMILES notation for (2-chlorocyclopropyl)methanol?
The canonical SMILES for (2-chlorocyclopropyl)methanol is OCC1CC1Cl.
What is the InChIKey of (2-chlorocyclopropyl)methanol?
The InChIKey is FXUQPSPDDULYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2.
What are the key properties of (2-chlorocyclopropyl)methanol?
(2-chlorocyclopropyl)methanol has a molecular weight of 106.55 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorocyclopropyl)methanol is sourced from PubChem (CID 13399521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).