1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone

C14H14O3 — CID 141104221

IUPAC1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
SMILESCOc1ccc(Cc2coc(C(C)=O)c2)cc1
InChIInChI=1S/C14H14O3/c1-10(15)14-8-12(9-17-14)7-11-3-5-13(16-2)6-4-11/h3-6,8-9H,7H2,1-2H3
InChIKeyZEBOCDUWRYXMAE-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone

1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone (PubChem CID 141104221) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
PubChem CID141104221
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
SMILESCOc1ccc(Cc2coc(C(C)=O)c2)cc1
InChIInChI=1S/C14H14O3/c1-10(15)14-8-12(9-17-14)7-11-3-5-13(16-2)6-4-11/h3-6,8-9H,7H2,1-2H3
InChIKeyZEBOCDUWRYXMAE-UHFFFAOYSA-N
XLogP3.08
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 22961575
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 91044178
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
(5-acetylfuran-3-yl)methyl acetate
CID 18367906
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115084076
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
ethane;1-[2-hydroxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone;1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 160861227
methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 71761765
1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone
CID 102598875
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
CID 58598667

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone?
The IUPAC name of 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone (CID 141104221) is 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone is COc1ccc(Cc2coc(C(C)=O)c2)cc1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone?
The InChIKey is ZEBOCDUWRYXMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10(15)14-8-12(9-17-14)7-11-3-5-13(16-2)6-4-11/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone?
1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone has a molecular weight of 230.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone is sourced from PubChem (CID 141104221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).