methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate

C16H18O4 — CID 54512248

IUPACmethyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate
SMILESCOC(=O)CC(Cc1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C16H18O4/c1-18-14-7-5-12(6-8-14)10-13(11-16(17)19-2)15-4-3-9-20-15/h3-9,13H,10-11H2,1-2H3
InChIKeyYJYIUNANXAURRI-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.18
Rot. Bonds6

About methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate

methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate (PubChem CID 54512248) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate
PubChem CID54512248
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Namemethyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate
SMILESCOC(=O)CC(Cc1ccc(OC)cc1)c1ccco1
InChIInChI=1S/C16H18O4/c1-18-14-7-5-12(6-8-14)10-13(11-16(17)19-2)15-4-3-9-20-15/h3-9,13H,10-11H2,1-2H3
InChIKeyYJYIUNANXAURRI-UHFFFAOYSA-N
XLogP3.18
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 95740998
(3R)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709032
[1-(furan-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105213476
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 110908541
methyl (3S)-3-[(2-chloroacetyl)amino]-4-(4-methoxyphenyl)butanoate
CID 167813974
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8755264
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705386
methyl (3S)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105717
methyl (3R)-3-[(4-methoxyphenyl)methylamino]butanoate
CID 93105718
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-methoxyphenyl)propanamide
CID 111108626

Frequently Asked Questions

What is the IUPAC name of methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate?
The IUPAC name of methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate (CID 54512248) is methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate.
What is the SMILES notation for methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate?
The canonical SMILES for methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate is COC(=O)CC(Cc1ccc(OC)cc1)c1ccco1.
What is the InChIKey of methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate?
The InChIKey is YJYIUNANXAURRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-18-14-7-5-12(6-8-14)10-13(11-16(17)19-2)15-4-3-9-20-15/h3-9,13H,10-11H2,1-2H3.
What are the key properties of methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate?
methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate has a molecular weight of 274.32 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate is sourced from PubChem (CID 54512248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).