(3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone

C15H16O2 — CID 43462607

IUPAC(3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2occc2C)c(C)c1
InChIInChI=1S/C15H16O2/c1-9-7-11(3)13(12(4)8-9)14(16)15-10(2)5-6-17-15/h5-8H,1-4H3
InChIKeyRAAQLROQJCJYQR-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.74
Rot. Bonds2

About (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone

(3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 43462607) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone
PubChem CID43462607
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2occc2C)c(C)c1
InChIInChI=1S/C15H16O2/c1-9-7-11(3)13(12(4)8-9)14(16)15-10(2)5-6-17-15/h5-8H,1-4H3
InChIKeyRAAQLROQJCJYQR-UHFFFAOYSA-N
XLogP3.74
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 104799584
3-methylfuran-2-carbonyl iodide
CID 143843611
furan-3-yl-(3-methylfuran-2-yl)methanone
CID 104799450
(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
CID 43462648
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone
CID 18717540
(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463104
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463358
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 114972636

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone (CID 43462607) is (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2occc2C)c(C)c1.
What is the InChIKey of (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is RAAQLROQJCJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-7-11(3)13(12(4)8-9)14(16)15-10(2)5-6-17-15/h5-8H,1-4H3.
What are the key properties of (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone?
(3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 228.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43462607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).