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

C14H20O3 — CID 82050414

IUPAC3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
SMILESCOCCC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-11(2)10-17-13-6-4-12(5-7-13)14(15)8-9-16-3/h4-7,11H,8-10H2,1-3H3
InChIKeyAGAACGUEFWZJRL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.94
Rot. Bonds7

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

3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one (PubChem CID 82050414) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
PubChem CID82050414
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
SMILESCOCCC(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H20O3/c1-11(2)10-17-13-6-4-12(5-7-13)14(15)8-9-16-3/h4-7,11H,8-10H2,1-3H3
InChIKeyAGAACGUEFWZJRL-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3-dihydroxypropoxy)phenyl]-3-methoxypropan-1-one
CID 21117733
1-[4-(4-ethoxyphenyl)phenyl]-3-methoxypropan-1-one
CID 82053444
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
3-methoxy-1-(4-phenoxyphenyl)propan-1-one
CID 82051058
[4-(2-methylpropoxy)benzoyl]phosphonic acid
CID 170613482
5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione
CID 43321414
hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride
CID 644984
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
3-methoxy-1-phenylpropan-1-one
CID 10942788
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one (CID 82050414) is 3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one is COCCC(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one?
The InChIKey is AGAACGUEFWZJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(2)10-17-13-6-4-12(5-7-13)14(15)8-9-16-3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one?
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one is sourced from PubChem (CID 82050414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).