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

C15H16O4 — CID 43462543

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

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

(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 43462543) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
PubChem CID43462543
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name(2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
SMILESCOc1ccc(OC)c(C(=O)c2cc(C)oc2C)c1
InChIInChI=1S/C15H16O4/c1-9-7-12(10(2)19-9)15(16)13-8-11(17-3)5-6-14(13)18-4/h5-8H,1-4H3
InChIKeyAIIDZKBKNKXHKU-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

(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463044
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methanone
CID 69347574
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715711
(2,5-dimethoxyphenyl)-naphthalen-1-ylmethanone
CID 146006285
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(2,5-dimethoxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105098414

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of (2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone (CID 43462543) is (2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for (2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone is COc1ccc(OC)c(C(=O)c2cc(C)oc2C)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is AIIDZKBKNKXHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-9-7-12(10(2)19-9)15(16)13-8-11(17-3)5-6-14(13)18-4/h5-8H,1-4H3.
What are the key properties of (2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone?
(2,5-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 (2,5-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 43462543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).