4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one

C15H16O3 — CID 169488876

IUPAC4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
SMILESCOc1ccccc1C(CC(C)=O)c1ccco1
InChIInChI=1S/C15H16O3/c1-11(16)10-13(15-8-5-9-18-15)12-6-3-4-7-14(12)17-2/h3-9,13H,10H2,1-2H3
InChIKeyQZLRNNFJPJXDPX-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds5

About 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one

4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one (PubChem CID 169488876) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
PubChem CID169488876
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
SMILESCOc1ccccc1C(CC(C)=O)c1ccco1
InChIInChI=1S/C15H16O3/c1-11(16)10-13(15-8-5-9-18-15)12-6-3-4-7-14(12)17-2/h3-9,13H,10H2,1-2H3
InChIKeyQZLRNNFJPJXDPX-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 729616
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 921733
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
CID 1306729
methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate
CID 638410
4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 1427599
[furan-2-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191034
N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 1391150
4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one
CID 57183797
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81402863

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one?
The IUPAC name of 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one (CID 169488876) is 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one.
What is the SMILES notation for 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one?
The canonical SMILES for 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one is COc1ccccc1C(CC(C)=O)c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one?
The InChIKey is QZLRNNFJPJXDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11(16)10-13(15-8-5-9-18-15)12-6-3-4-7-14(12)17-2/h3-9,13H,10H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one?
4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one has a molecular weight of 244.29 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one is sourced from PubChem (CID 169488876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).