1-chloropropane;methanol

C4H11ClO — CID 159043675

IUPAC1-chloropropane;methanol
SMILESCCCCl.CO
InChIInChI=1S/C3H7Cl.CH4O/c1-2-3-4;1-2/h2-3H2,1H3;2H,1H3
InChIKeyJWJTZFJQHHTPAA-UHFFFAOYSA-N
MW110.58 g/mol
LogP1.24
Rot. Bonds1

About 1-chloropropane;methanol

1-chloropropane;methanol (PubChem CID 159043675) has the molecular formula C4H11ClO and a molecular weight of 110.58 g/mol. Its IUPAC name is 1-chloropropane;methanol.

Molecular Properties

Compound Name1-chloropropane;methanol
PubChem CID159043675
Molecular FormulaC4H11ClO
Molecular Weight110.58 g/mol
Exact Mass110.05
IUPAC Name1-chloropropane;methanol
SMILESCCCCl.CO
InChIInChI=1S/C3H7Cl.CH4O/c1-2-3-4;1-2/h2-3H2,1H3;2H,1H3
InChIKeyJWJTZFJQHHTPAA-UHFFFAOYSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.58
LogP ≤ 51.24
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-chloropropane;methanol?
The IUPAC name of 1-chloropropane;methanol (CID 159043675) is 1-chloropropane;methanol.
What is the SMILES notation for 1-chloropropane;methanol?
The canonical SMILES for 1-chloropropane;methanol is CCCCl.CO.
What is the InChIKey of 1-chloropropane;methanol?
The InChIKey is JWJTZFJQHHTPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl.CH4O/c1-2-3-4;1-2/h2-3H2,1H3;2H,1H3.
What are the key properties of 1-chloropropane;methanol?
1-chloropropane;methanol has a molecular weight of 110.58 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;methanol is sourced from PubChem (CID 159043675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).