1-(2-chloroethyl)cyclopropan-1-ol

C5H9ClO — CID 11550007

IUPAC1-(2-chloroethyl)cyclopropan-1-ol
SMILESOC1(CCCl)CC1
InChIInChI=1S/C5H9ClO/c6-4-3-5(7)1-2-5/h7H,1-4H2
InChIKeyQSTYLFQCEXOYAZ-UHFFFAOYSA-N
MW120.58 g/mol
LogP1.14
Rot. Bonds2

About 1-(2-chloroethyl)cyclopropan-1-ol

1-(2-chloroethyl)cyclopropan-1-ol (PubChem CID 11550007) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is 1-(2-chloroethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-chloroethyl)cyclopropan-1-ol
PubChem CID11550007
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name1-(2-chloroethyl)cyclopropan-1-ol
SMILESOC1(CCCl)CC1
InChIInChI=1S/C5H9ClO/c6-4-3-5(7)1-2-5/h7H,1-4H2
InChIKeyQSTYLFQCEXOYAZ-UHFFFAOYSA-N
XLogP1.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.14
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 1-(2-chloroethyl)cyclopropan-1-ol?
The IUPAC name of 1-(2-chloroethyl)cyclopropan-1-ol (CID 11550007) is 1-(2-chloroethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-chloroethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-chloroethyl)cyclopropan-1-ol is OC1(CCCl)CC1.
What is the InChIKey of 1-(2-chloroethyl)cyclopropan-1-ol?
The InChIKey is QSTYLFQCEXOYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO/c6-4-3-5(7)1-2-5/h7H,1-4H2.
What are the key properties of 1-(2-chloroethyl)cyclopropan-1-ol?
1-(2-chloroethyl)cyclopropan-1-ol has a molecular weight of 120.58 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)cyclopropan-1-ol is sourced from PubChem (CID 11550007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).