3-(hydroxymethoxy)propan-1-ol

C4H10O3 — CID 42626644

IUPAC3-(hydroxymethoxy)propan-1-ol
SMILESOCCCOCO
InChIInChI=1S/C4H10O3/c5-2-1-3-7-4-6/h5-6H,1-4H2
InChIKeyKJTLJMMHGXWVCU-UHFFFAOYSA-N
MW106.12 g/mol
LogP-0.66
Rot. Bonds4

About 3-(hydroxymethoxy)propan-1-ol

3-(hydroxymethoxy)propan-1-ol (PubChem CID 42626644) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is 3-(hydroxymethoxy)propan-1-ol.

Molecular Properties

Compound Name3-(hydroxymethoxy)propan-1-ol
PubChem CID42626644
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name3-(hydroxymethoxy)propan-1-ol
SMILESOCCCOCO
InChIInChI=1S/C4H10O3/c5-2-1-3-7-4-6/h5-6H,1-4H2
InChIKeyKJTLJMMHGXWVCU-UHFFFAOYSA-N
XLogP-0.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethoxy)propan-1-ol?
The IUPAC name of 3-(hydroxymethoxy)propan-1-ol (CID 42626644) is 3-(hydroxymethoxy)propan-1-ol.
What is the SMILES notation for 3-(hydroxymethoxy)propan-1-ol?
The canonical SMILES for 3-(hydroxymethoxy)propan-1-ol is OCCCOCO.
What is the InChIKey of 3-(hydroxymethoxy)propan-1-ol?
The InChIKey is KJTLJMMHGXWVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3/c5-2-1-3-7-4-6/h5-6H,1-4H2.
What are the key properties of 3-(hydroxymethoxy)propan-1-ol?
3-(hydroxymethoxy)propan-1-ol has a molecular weight of 106.12 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethoxy)propan-1-ol is sourced from PubChem (CID 42626644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).