2-[(3,4-dimethoxyphenyl)methyl]furan

C13H14O3 — CID 71735507

IUPAC2-[(3,4-dimethoxyphenyl)methyl]furan
SMILESCOc1ccc(Cc2ccco2)cc1OC
InChIInChI=1S/C13H14O3/c1-14-12-6-5-10(9-13(12)15-2)8-11-4-3-7-16-11/h3-7,9H,8H2,1-2H3
InChIKeyHLJIAVGUKUCMIR-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.89
Rot. Bonds4

About 2-[(3,4-dimethoxyphenyl)methyl]furan

2-[(3,4-dimethoxyphenyl)methyl]furan (PubChem CID 71735507) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]furan.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]furan
PubChem CID71735507
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]furan
SMILESCOc1ccc(Cc2ccco2)cc1OC
InChIInChI=1S/C13H14O3/c1-14-12-6-5-10(9-13(12)15-2)8-11-4-3-7-16-11/h3-7,9H,8H2,1-2H3
InChIKeyHLJIAVGUKUCMIR-UHFFFAOYSA-N
XLogP2.89
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 83461576
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858581
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2954103
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-methylbutan-2-ol
CID 24713915
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(furan-2-ylmethyl)methanamine;hydrochloride
CID 17331634
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448
2-[4-[(furan-2-ylmethylamino)methyl]-2-methoxyphenoxy]ethanol;hydrochloride
CID 17213191
1-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 46006854

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]furan?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]furan (CID 71735507) is 2-[(3,4-dimethoxyphenyl)methyl]furan.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]furan?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]furan is COc1ccc(Cc2ccco2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]furan?
The InChIKey is HLJIAVGUKUCMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-14-12-6-5-10(9-13(12)15-2)8-11-4-3-7-16-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]furan?
2-[(3,4-dimethoxyphenyl)methyl]furan has a molecular weight of 218.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]furan is sourced from PubChem (CID 71735507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).