2-(2,2-dimethoxy-1-phenylethyl)furan

C14H16O3 — CID 101093381

IUPAC2-(2,2-dimethoxy-1-phenylethyl)furan
SMILESCOC(OC)C(c1ccccc1)c1ccco1
InChIInChI=1S/C14H16O3/c1-15-14(16-2)13(12-9-6-10-17-12)11-7-4-3-5-8-11/h3-10,13-14H,1-2H3
InChIKeyGOWJWTGPJWHWOO-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.03
Rot. Bonds5

About 2-(2,2-dimethoxy-1-phenylethyl)furan

2-(2,2-dimethoxy-1-phenylethyl)furan (PubChem CID 101093381) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2,2-dimethoxy-1-phenylethyl)furan.

Molecular Properties

Compound Name2-(2,2-dimethoxy-1-phenylethyl)furan
PubChem CID101093381
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(2,2-dimethoxy-1-phenylethyl)furan
SMILESCOC(OC)C(c1ccccc1)c1ccco1
InChIInChI=1S/C14H16O3/c1-15-14(16-2)13(12-9-6-10-17-12)11-7-4-3-5-8-11/h3-10,13-14H,1-2H3
InChIKeyGOWJWTGPJWHWOO-UHFFFAOYSA-N
XLogP3.03
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-2,2-diphenylethanol
CID 63947549
[(R)-furan-2-yl(phenyl)methyl]azanium
CID 6945147
2-[iodo(phenyl)methyl]furan
CID 139520003
[(2R)-2-methoxy-1-phenylpropyl]benzene
CID 101223865
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
methyl (2S,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoate
CID 638407
N-[furan-2-yl(phenyl)methyl]-3-methylpentan-2-amine
CID 60780727
N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493173
[(1R)-1-bromo-2,2-dimethoxyethyl]benzene
CID 129364228
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613
1-(furan-2-yl)-3-methyl-2-phenylpentan-1-ol
CID 115797403

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxy-1-phenylethyl)furan?
The IUPAC name of 2-(2,2-dimethoxy-1-phenylethyl)furan (CID 101093381) is 2-(2,2-dimethoxy-1-phenylethyl)furan.
What is the SMILES notation for 2-(2,2-dimethoxy-1-phenylethyl)furan?
The canonical SMILES for 2-(2,2-dimethoxy-1-phenylethyl)furan is COC(OC)C(c1ccccc1)c1ccco1.
What is the InChIKey of 2-(2,2-dimethoxy-1-phenylethyl)furan?
The InChIKey is GOWJWTGPJWHWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-15-14(16-2)13(12-9-6-10-17-12)11-7-4-3-5-8-11/h3-10,13-14H,1-2H3.
What are the key properties of 2-(2,2-dimethoxy-1-phenylethyl)furan?
2-(2,2-dimethoxy-1-phenylethyl)furan has a molecular weight of 232.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxy-1-phenylethyl)furan is sourced from PubChem (CID 101093381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).