1-methoxypropan-2-ol

C4H10O2 — CID 7900

IUPAC1-methoxypropan-2-ol
SMILESCOCC(C)O
InChIInChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
InChIKeyARXJGSRGQADJSQ-UHFFFAOYSA-N
MW90.12 g/mol
LogP0.01
Rot. Bonds2

About 1-methoxypropan-2-ol

1-methoxypropan-2-ol (PubChem CID 7900) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 1-methoxypropan-2-ol.

Molecular Properties

Compound Name1-methoxypropan-2-ol
PubChem CID7900
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name1-methoxypropan-2-ol
SMILESCOCC(C)O
InChIInChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3
InChIKeyARXJGSRGQADJSQ-UHFFFAOYSA-N
XLogP0.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-ol?
The IUPAC name of 1-methoxypropan-2-ol (CID 7900) is 1-methoxypropan-2-ol.
What is the SMILES notation for 1-methoxypropan-2-ol?
The canonical SMILES for 1-methoxypropan-2-ol is COCC(C)O.
What is the InChIKey of 1-methoxypropan-2-ol?
The InChIKey is ARXJGSRGQADJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-methoxypropan-2-ol?
1-methoxypropan-2-ol has a molecular weight of 90.12 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-ol is sourced from PubChem (CID 7900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).