1-(2-methoxypropoxy)propan-2-ol

C7H16O3 — CID 25982

IUPAC1-(2-methoxypropoxy)propan-2-ol
SMILESCOC(C)COCC(C)O
InChIInChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3
InChIKeyFOLPKOWCPVGUCA-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.42
Rot. Bonds5

About 1-(2-methoxypropoxy)propan-2-ol

1-(2-methoxypropoxy)propan-2-ol (PubChem CID 25982) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-(2-methoxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxypropoxy)propan-2-ol
PubChem CID25982
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1-(2-methoxypropoxy)propan-2-ol
SMILESCOC(C)COCC(C)O
InChIInChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3
InChIKeyFOLPKOWCPVGUCA-UHFFFAOYSA-N
XLogP0.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropoxy)propan-2-ol?
The IUPAC name of 1-(2-methoxypropoxy)propan-2-ol (CID 25982) is 1-(2-methoxypropoxy)propan-2-ol.
What is the SMILES notation for 1-(2-methoxypropoxy)propan-2-ol?
The canonical SMILES for 1-(2-methoxypropoxy)propan-2-ol is COC(C)COCC(C)O.
What is the InChIKey of 1-(2-methoxypropoxy)propan-2-ol?
The InChIKey is FOLPKOWCPVGUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxypropoxy)propan-2-ol?
1-(2-methoxypropoxy)propan-2-ol has a molecular weight of 148.20 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropoxy)propan-2-ol is sourced from PubChem (CID 25982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).