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

C14H14O4 — CID 104789248

IUPAC(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2ccoc2C)c1
InChIInChI=1S/C14H14O4/c1-9-13(4-5-18-9)14(15)10-6-11(16-2)8-12(7-10)17-3/h4-8H,1-3H3
InChIKeyNBSPHEDOPWSJHL-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.84
Rot. Bonds4

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

(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone (PubChem CID 104789248) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone
PubChem CID104789248
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2ccoc2C)c1
InChIInChI=1S/C14H14O4/c1-9-13(4-5-18-9)14(15)10-6-11(16-2)8-12(7-10)17-3/h4-8H,1-3H3
InChIKeyNBSPHEDOPWSJHL-UHFFFAOYSA-N
XLogP2.84
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
(2-bromo-3-methylphenyl)-(3,5-dimethoxyphenyl)methanone
CID 107984562
furan-3-yl-(2-methylfuran-3-yl)methanone
CID 104789242
(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
CID 115481887
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 27625804
(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
CID 104789316
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
(3-fluorophenyl)-(2-methylfuran-3-yl)methanone
CID 104789310
(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785475
(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 104789232
N-[2-(3-methoxyphenoxy)ethyl]-2-methylfuran-3-carboxamide
CID 46400217
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone (CID 104789248) is (3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone is COc1cc(OC)cc(C(=O)c2ccoc2C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone?
The InChIKey is NBSPHEDOPWSJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-9-13(4-5-18-9)14(15)10-6-11(16-2)8-12(7-10)17-3/h4-8H,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone?
(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone has a molecular weight of 246.26 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 104789248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).