1-(3-methoxyphenyl)propan-1-one;propane

C13H20O2 — CID 142960525

IUPAC1-(3-methoxyphenyl)propan-1-one;propane
SMILESCCC.CCC(=O)c1cccc(OC)c1
InChIInChI=1S/C10H12O2.C3H8/c1-3-10(11)8-5-4-6-9(7-8)12-2;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyBFEGOEPLLCMQLO-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.70
Rot. Bonds3

About 1-(3-methoxyphenyl)propan-1-one;propane

1-(3-methoxyphenyl)propan-1-one;propane (PubChem CID 142960525) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)propan-1-one;propane.

Molecular Properties

Compound Name1-(3-methoxyphenyl)propan-1-one;propane
PubChem CID142960525
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(3-methoxyphenyl)propan-1-one;propane
SMILESCCC.CCC(=O)c1cccc(OC)c1
InChIInChI=1S/C10H12O2.C3H8/c1-3-10(11)8-5-4-6-9(7-8)12-2;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3
InChIKeyBFEGOEPLLCMQLO-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
2-(ethylamino)-1-(3-methoxyphenyl)ethanone
CID 82101988
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
anisole;1-phenylpropan-1-one;propan-2-one
CID 174786879
1-[3-(2-methylphenoxy)phenyl]propan-1-one
CID 114079071
1-[3-(2,5-dimethoxyphenyl)phenyl]propan-1-one
CID 61033997
3-amino-1-(3-methoxyphenyl)-3-methylbutan-1-one
CID 116581079
4-methoxy-1-(3-methoxyphenyl)butan-1-one
CID 62620743
4-fluoro-1-(3-methoxyphenyl)butan-1-one
CID 135043866
3-hydroxy-3-iodo-1-(3-methoxyphenyl)propan-1-one
CID 134358093
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)propan-1-one;propane?
The IUPAC name of 1-(3-methoxyphenyl)propan-1-one;propane (CID 142960525) is 1-(3-methoxyphenyl)propan-1-one;propane.
What is the SMILES notation for 1-(3-methoxyphenyl)propan-1-one;propane?
The canonical SMILES for 1-(3-methoxyphenyl)propan-1-one;propane is CCC.CCC(=O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)propan-1-one;propane?
The InChIKey is BFEGOEPLLCMQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C3H8/c1-3-10(11)8-5-4-6-9(7-8)12-2;1-3-2/h4-7H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)propan-1-one;propane?
1-(3-methoxyphenyl)propan-1-one;propane has a molecular weight of 208.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)propan-1-one;propane is sourced from PubChem (CID 142960525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).