(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone

C15H16O4 — CID 43463044

IUPAC(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C15H16O4/c1-9-7-12(10(2)19-9)15(16)11-5-6-13(17-3)14(8-11)18-4/h5-8H,1-4H3
InChIKeyWAZFRHMNJWOQIU-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.14
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone

(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 43463044) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
PubChem CID43463044
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C15H16O4/c1-9-7-12(10(2)19-9)15(16)11-5-6-13(17-3)14(8-11)18-4/h5-8H,1-4H3
InChIKeyWAZFRHMNJWOQIU-UHFFFAOYSA-N
XLogP3.14
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43462543
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N-[1,2-bis(3,4-dimethoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 4308006
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
methyl 3-(3,4-dimethoxyphenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 42920265
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone (CID 43463044) is (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone is COc1ccc(C(=O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is WAZFRHMNJWOQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-9-7-12(10(2)19-9)15(16)11-5-6-13(17-3)14(8-11)18-4/h5-8H,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone?
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 260.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 43463044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).