chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol

C5H8Cl2O2 — CID 70557527

IUPACchloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol
SMILESOC(Cl)C1(C(O)Cl)CC1
InChIInChI=1S/C5H8Cl2O2/c6-3(8)5(1-2-5)4(7)9/h3-4,8-9H,1-2H2
InChIKeyHPBSCBXTDZXZIZ-UHFFFAOYSA-N
MW171.02 g/mol
LogP0.88
Rot. Bonds2

About chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol

chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol (PubChem CID 70557527) has the molecular formula C5H8Cl2O2 and a molecular weight of 171.02 g/mol. Its IUPAC name is chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Namechloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol
PubChem CID70557527
Molecular FormulaC5H8Cl2O2
Molecular Weight171.02 g/mol
Exact Mass169.99
IUPAC Namechloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol
SMILESOC(Cl)C1(C(O)Cl)CC1
InChIInChI=1S/C5H8Cl2O2/c6-3(8)5(1-2-5)4(7)9/h3-4,8-9H,1-2H2
InChIKeyHPBSCBXTDZXZIZ-UHFFFAOYSA-N
XLogP0.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.02
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol?
The IUPAC name of chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol (CID 70557527) is chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol.
What is the SMILES notation for chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol?
The canonical SMILES for chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol is OC(Cl)C1(C(O)Cl)CC1.
What is the InChIKey of chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol?
The InChIKey is HPBSCBXTDZXZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O2/c6-3(8)5(1-2-5)4(7)9/h3-4,8-9H,1-2H2.
What are the key properties of chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol?
chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol has a molecular weight of 171.02 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[1-[chloro(hydroxy)methyl]cyclopropyl]methanol is sourced from PubChem (CID 70557527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).