1-methoxy-1-phenylpropan-2-one

C10H12O2 — CID 4562648

IUPAC1-methoxy-1-phenylpropan-2-one
SMILESCOC(C(C)=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeyJBZKUMYCNPNIJF-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.96
Rot. Bonds3

About 1-methoxy-1-phenylpropan-2-one

1-methoxy-1-phenylpropan-2-one (PubChem CID 4562648) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-methoxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-methoxy-1-phenylpropan-2-one
PubChem CID4562648
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-methoxy-1-phenylpropan-2-one
SMILESCOC(C(C)=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3
InChIKeyJBZKUMYCNPNIJF-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-phenylpropan-2-one?
The IUPAC name of 1-methoxy-1-phenylpropan-2-one (CID 4562648) is 1-methoxy-1-phenylpropan-2-one.
What is the SMILES notation for 1-methoxy-1-phenylpropan-2-one?
The canonical SMILES for 1-methoxy-1-phenylpropan-2-one is COC(C(C)=O)c1ccccc1.
What is the InChIKey of 1-methoxy-1-phenylpropan-2-one?
The InChIKey is JBZKUMYCNPNIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8(11)10(12-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3.
What are the key properties of 1-methoxy-1-phenylpropan-2-one?
1-methoxy-1-phenylpropan-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-phenylpropan-2-one is sourced from PubChem (CID 4562648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).