1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one

C14H14O3 — CID 65444925

IUPAC1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccoc2)cc1
InChIInChI=1S/C14H14O3/c1-16-13-5-2-11(3-6-13)4-7-14(15)12-8-9-17-10-12/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyZVQXIBOZZYGYGF-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.10
Rot. Bonds5

About 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one

1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 65444925) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID65444925
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccoc2)cc1
InChIInChI=1S/C14H14O3/c1-16-13-5-2-11(3-6-13)4-7-14(15)12-8-9-17-10-12/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyZVQXIBOZZYGYGF-UHFFFAOYSA-N
XLogP3.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
CID 61055091
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
3-(4-methoxyphenyl)-1-(3-methylfuran-2-yl)propan-1-one
CID 104799534
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
N-[(2S)-1-(furan-3-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 97030226
[4-(4-methoxyphenyl)-2-oxobutyl]phosphonic acid
CID 70420158
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853
3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975974
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one (CID 65444925) is 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2ccoc2)cc1.
What is the InChIKey of 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is ZVQXIBOZZYGYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-16-13-5-2-11(3-6-13)4-7-14(15)12-8-9-17-10-12/h2-3,5-6,8-10H,4,7H2,1H3.
What are the key properties of 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 230.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 65444925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).