1-methoxypropan-2-ol;propan-2-one

C7H16O3 — CID 87509433

IUPAC1-methoxypropan-2-ol;propan-2-one
SMILESCC(C)=O.COCC(C)O
InChIInChI=1S/C4H10O2.C3H6O/c1-4(5)3-6-2;1-3(2)4/h4-5H,3H2,1-2H3;1-2H3
InChIKeyPUQNPTPIACLKSF-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.61
Rot. Bonds2

About 1-methoxypropan-2-ol;propan-2-one

1-methoxypropan-2-ol;propan-2-one (PubChem CID 87509433) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-methoxypropan-2-ol;propan-2-one.

Molecular Properties

Compound Name1-methoxypropan-2-ol;propan-2-one
PubChem CID87509433
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1-methoxypropan-2-ol;propan-2-one
SMILESCC(C)=O.COCC(C)O
InChIInChI=1S/C4H10O2.C3H6O/c1-4(5)3-6-2;1-3(2)4/h4-5H,3H2,1-2H3;1-2H3
InChIKeyPUQNPTPIACLKSF-UHFFFAOYSA-N
XLogP0.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-ol;propan-2-one?
The IUPAC name of 1-methoxypropan-2-ol;propan-2-one (CID 87509433) is 1-methoxypropan-2-ol;propan-2-one.
What is the SMILES notation for 1-methoxypropan-2-ol;propan-2-one?
The canonical SMILES for 1-methoxypropan-2-ol;propan-2-one is CC(C)=O.COCC(C)O.
What is the InChIKey of 1-methoxypropan-2-ol;propan-2-one?
The InChIKey is PUQNPTPIACLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H6O/c1-4(5)3-6-2;1-3(2)4/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of 1-methoxypropan-2-ol;propan-2-one?
1-methoxypropan-2-ol;propan-2-one has a molecular weight of 148.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-ol;propan-2-one is sourced from PubChem (CID 87509433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).