1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one

C14H20O3 — CID 91657177

IUPAC1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC)c(OCC(C)C)c1
InChIInChI=1S/C14H20O3/c1-5-12(15)11-6-7-13(16-4)14(8-11)17-9-10(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeyZQBVPKCSDDGDBY-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.32
Rot. Bonds6

About 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one

1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one (PubChem CID 91657177) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one
PubChem CID91657177
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC)c(OCC(C)C)c1
InChIInChI=1S/C14H20O3/c1-5-12(15)11-6-7-13(16-4)14(8-11)17-9-10(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeyZQBVPKCSDDGDBY-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-1-[4-methoxy-3-(2-methylpropoxy)phenyl]butan-2-one
CID 82160992
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
4-methoxy-3-(2-methylpropoxy)benzenethiol
CID 91656127
2-methoxy-5-propanoylbenzonitrile
CID 39238144
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7486965
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 7489220
4-(2-methylpropoxy)benzene-1,3-dicarboxamide
CID 162371646
1-(3,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanone
CID 65134393
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 16503166
(2-amino-2-oxoethyl) 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535405
(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 119369773

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one?
The IUPAC name of 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one (CID 91657177) is 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one is CCC(=O)c1ccc(OC)c(OCC(C)C)c1.
What is the InChIKey of 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one?
The InChIKey is ZQBVPKCSDDGDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-12(15)11-6-7-13(16-4)14(8-11)17-9-10(2)3/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one?
1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-one is sourced from PubChem (CID 91657177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).