1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone

C14H20O3 — CID 82001376

IUPAC1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
SMILESCCC(CC)Oc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C14H20O3/c1-5-11(6-2)17-14-9-12(16-4)7-8-13(14)10(3)15/h7-9,11H,5-6H2,1-4H3
InChIKeyLPGNWENTLJSJNP-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.47
Rot. Bonds6

About 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone

1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone (PubChem CID 82001376) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
PubChem CID82001376
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone
SMILESCCC(CC)Oc1cc(OC)ccc1C(C)=O
InChIInChI=1S/C14H20O3/c1-5-11(6-2)17-14-9-12(16-4)7-8-13(14)10(3)15/h7-9,11H,5-6H2,1-4H3
InChIKeyLPGNWENTLJSJNP-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
CID 15267098
1-(4-bromo-2-pentan-3-yloxyphenyl)ethanone
CID 102948061
2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 115279935
2-(2-acetyl-5-methoxyphenoxy)-2-fluoro-1-phenylethanone
CID 162404401
1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 32886949
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
1-[2-[2-(diethylamino)ethoxy]-4-methoxyphenyl]ethanone
CID 82002145
2-(2-acetyl-5-methoxyphenoxy)-N-cyclopropylpropanamide
CID 78906259
1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560
1-[2-(3-butoxy-2-hydroxypropoxy)-4-methoxyphenyl]ethanone
CID 107263247
(2-acetyl-5-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 91741492

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone?
The IUPAC name of 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone (CID 82001376) is 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone?
The canonical SMILES for 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone is CCC(CC)Oc1cc(OC)ccc1C(C)=O.
What is the InChIKey of 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone?
The InChIKey is LPGNWENTLJSJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-11(6-2)17-14-9-12(16-4)7-8-13(14)10(3)15/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone?
1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-pentan-3-yloxyphenyl)ethanone is sourced from PubChem (CID 82001376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).