3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one

C15H16O3 — CID 104799534

IUPAC3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2occc2C)cc1
InChIInChI=1S/C15H16O3/c1-11-9-10-18-15(11)14(16)8-5-12-3-6-13(17-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyGHRXFCJIDZVQRO-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.41
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one

3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one (PubChem CID 104799534) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one
PubChem CID104799534
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2occc2C)cc1
InChIInChI=1S/C15H16O3/c1-11-9-10-18-15(11)14(16)8-5-12-3-6-13(17-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKeyGHRXFCJIDZVQRO-UHFFFAOYSA-N
XLogP3.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 61079154
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65444925
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853
[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
CID 70420158
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799652
4-diazo-1-(4-methoxyphenyl)pentan-3-one
CID 85408653
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975974

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one (CID 104799534) is 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one is COc1ccc(CCC(=O)c2occc2C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one?
The InChIKey is GHRXFCJIDZVQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11-9-10-18-15(11)14(16)8-5-12-3-6-13(17-2)7-4-12/h3-4,6-7,9-10H,5,8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one has a molecular weight of 244.29 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 104799534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).