1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one

C14H18O3 — CID 76931733

IUPAC1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
SMILESCC=Cc1ccc(OCC(=O)CC)c(OC)c1
InChIInChI=1S/C14H18O3/c1-4-6-11-7-8-13(14(9-11)16-3)17-10-12(15)5-2/h4,6-9H,5,10H2,1-3H3
InChIKeyKKCFHUQSIRSYCH-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.09
Rot. Bonds6

About 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one

1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one (PubChem CID 76931733) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one.

Molecular Properties

Compound Name1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
PubChem CID76931733
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
SMILESCC=Cc1ccc(OCC(=O)CC)c(OC)c1
InChIInChI=1S/C14H18O3/c1-4-6-11-7-8-13(14(9-11)16-3)17-10-12(15)5-2/h4,6-9H,5,10H2,1-3H3
InChIKeyKKCFHUQSIRSYCH-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
2-(2-methoxy-4-prop-1-enylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 78766138
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 18284889
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
ethyl 4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 36860916
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 78857545
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741
(4-acetylphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8763804

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one?
The IUPAC name of 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one (CID 76931733) is 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one.
What is the SMILES notation for 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one?
The canonical SMILES for 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one is CC=Cc1ccc(OCC(=O)CC)c(OC)c1.
What is the InChIKey of 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one?
The InChIKey is KKCFHUQSIRSYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-6-11-7-8-13(14(9-11)16-3)17-10-12(15)5-2/h4,6-9H,5,10H2,1-3H3.
What are the key properties of 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one?
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one has a molecular weight of 234.29 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one is sourced from PubChem (CID 76931733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).