3-methoxy-1-phenylpropan-1-one

C10H12O2 — CID 10942788

IUPAC3-methoxy-1-phenylpropan-1-one
SMILESCOCCC(=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyMZBFZHPHBGPWDT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.91
Rot. Bonds4

About 3-methoxy-1-phenylpropan-1-one

3-methoxy-1-phenylpropan-1-one (PubChem CID 10942788) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-methoxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-methoxy-1-phenylpropan-1-one
PubChem CID10942788
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-methoxy-1-phenylpropan-1-one
SMILESCOCCC(=O)c1ccccc1
InChIInChI=1S/C10H12O2/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyMZBFZHPHBGPWDT-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
(3-oxo-3-phenylpropyl) hydrogen sulfite
CID 174749315
3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
CID 75383603
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
3-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one
CID 116692176
1-hydroxy-5-methoxy-1-phenylpent-1-en-3-one
CID 70862300
3-[bis(ethylamino)phosphoryloxy]-1-phenylpropan-1-one
CID 10085269
1-phenylbutan-1-one
CID 10315
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
methyl (4-oxo-4-phenylbutyl) carbonate
CID 173003844

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenylpropan-1-one?
The IUPAC name of 3-methoxy-1-phenylpropan-1-one (CID 10942788) is 3-methoxy-1-phenylpropan-1-one.
What is the SMILES notation for 3-methoxy-1-phenylpropan-1-one?
The canonical SMILES for 3-methoxy-1-phenylpropan-1-one is COCCC(=O)c1ccccc1.
What is the InChIKey of 3-methoxy-1-phenylpropan-1-one?
The InChIKey is MZBFZHPHBGPWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 3-methoxy-1-phenylpropan-1-one?
3-methoxy-1-phenylpropan-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenylpropan-1-one is sourced from PubChem (CID 10942788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).