1-(hydroxymethoxy)propan-1-ol

C4H10O3 — CID 57189690

IUPAC1-(hydroxymethoxy)propan-1-ol
SMILESCCC(O)OCO
InChIInChI=1S/C4H10O3/c1-2-4(6)7-3-5/h4-6H,2-3H2,1H3
InChIKeyCUXQAZVXRUWFCK-UHFFFAOYSA-N
MW106.12 g/mol
LogP-0.32
Rot. Bonds3

About 1-(hydroxymethoxy)propan-1-ol

1-(hydroxymethoxy)propan-1-ol (PubChem CID 57189690) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is 1-(hydroxymethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(hydroxymethoxy)propan-1-ol
PubChem CID57189690
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name1-(hydroxymethoxy)propan-1-ol
SMILESCCC(O)OCO
InChIInChI=1S/C4H10O3/c1-2-4(6)7-3-5/h4-6H,2-3H2,1H3
InChIKeyCUXQAZVXRUWFCK-UHFFFAOYSA-N
XLogP-0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethoxy)propan-1-ol?
The IUPAC name of 1-(hydroxymethoxy)propan-1-ol (CID 57189690) is 1-(hydroxymethoxy)propan-1-ol.
What is the SMILES notation for 1-(hydroxymethoxy)propan-1-ol?
The canonical SMILES for 1-(hydroxymethoxy)propan-1-ol is CCC(O)OCO.
What is the InChIKey of 1-(hydroxymethoxy)propan-1-ol?
The InChIKey is CUXQAZVXRUWFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3/c1-2-4(6)7-3-5/h4-6H,2-3H2,1H3.
What are the key properties of 1-(hydroxymethoxy)propan-1-ol?
1-(hydroxymethoxy)propan-1-ol has a molecular weight of 106.12 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethoxy)propan-1-ol is sourced from PubChem (CID 57189690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).