(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran

C13H16O3 — CID 135056530

IUPAC(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran
SMILESCOc1ccc(C[C@H]2C=CCO2)cc1OC
InChIInChI=1S/C13H16O3/c1-14-12-6-5-10(9-13(12)15-2)8-11-4-3-7-16-11/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyPCUCTKWDTXECSQ-LLVKDONJSA-N
MW220.27 g/mol
LogP2.20
Rot. Bonds4

About (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran

(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran (PubChem CID 135056530) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran.

Molecular Properties

Compound Name(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran
PubChem CID135056530
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran
SMILESCOc1ccc(C[C@H]2C=CCO2)cc1OC
InChIInChI=1S/C13H16O3/c1-14-12-6-5-10(9-13(12)15-2)8-11-4-3-7-16-11/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyPCUCTKWDTXECSQ-LLVKDONJSA-N
XLogP2.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran 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

2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
CID 24727770
2-[(3,4-dimethoxyphenyl)methyl]-1-methylpyrrolidine
CID 23452506
2,5-bis[(3,4-dimethoxyphenyl)methyl]cyclopentan-1-amine;hydrochloride
CID 90679135
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
4-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrolidine
CID 23009517
4-[[2-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,2-dimethoxybenzene
CID 118987420
5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 10334619
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
4-[2-[2-(3,4-dimethoxyphenyl)ethyldiselanyl]ethyl]-1,2-dimethoxybenzene
CID 13133800
2-(3,4-dimethoxyphenyl)ethoxy-trimethylsilane
CID 121004210
4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13184641
2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-one
CID 83841846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran?
The IUPAC name of (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran (CID 135056530) is (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran.
What is the SMILES notation for (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran?
The canonical SMILES for (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran is COc1ccc(C[C@H]2C=CCO2)cc1OC.
What is the InChIKey of (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran?
The InChIKey is PCUCTKWDTXECSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16O3/c1-14-12-6-5-10(9-13(12)15-2)8-11-4-3-7-16-11/h3-6,9,11H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran?
(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran has a molecular weight of 220.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran is sourced from PubChem (CID 135056530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).