1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one

C18H18O4 — CID 163833634

IUPAC1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one
SMILESCOc1ccc(OCCC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H18O4/c1-13(19)14-3-5-15(6-4-14)18(20)11-12-22-17-9-7-16(21-2)8-10-17/h3-10H,11-12H2,1-2H3
InChIKeyOFUMHCAVAVDLQP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.55
Rot. Bonds7

About 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one

1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one (PubChem CID 163833634) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one
PubChem CID163833634
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one
SMILESCOc1ccc(OCCC(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H18O4/c1-13(19)14-3-5-15(6-4-14)18(20)11-12-22-17-9-7-16(21-2)8-10-17/h3-10H,11-12H2,1-2H3
InChIKeyOFUMHCAVAVDLQP-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-(6-acetylnaphthalen-2-yl)-3-methoxypropan-1-one;1-(4-acetylphenyl)-3-methoxypropan-1-one
CID 159782068
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
3-butoxy-1-(4-methoxyphenyl)propan-1-one
CID 115002247
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
1-[4-[4-[(4-methoxyphenyl)methoxy]phenyl]phenyl]ethanone
CID 14597431
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
2-sulfanylethyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 141375174
ethyl 3-(4-methoxyphenyl)-3-oxopropanoate;1-(4-methoxyphenyl)ethanone
CID 158865973

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one?
The IUPAC name of 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one (CID 163833634) is 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one?
The canonical SMILES for 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one is COc1ccc(OCCC(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one?
The InChIKey is OFUMHCAVAVDLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13(19)14-3-5-15(6-4-14)18(20)11-12-22-17-9-7-16(21-2)8-10-17/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one?
1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one has a molecular weight of 298.34 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one is sourced from PubChem (CID 163833634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).