(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone

C15H16O2 — CID 104799584

IUPAC(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2occc2C)cc1C
InChIInChI=1S/C15H16O2/c1-9-5-6-17-15(9)14(16)13-8-11(3)10(2)7-12(13)4/h5-8H,1-4H3
InChIKeyRXNQECDXKYRXLZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.74
Rot. Bonds2

About (3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone

(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone (PubChem CID 104799584) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
PubChem CID104799584
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2occc2C)cc1C
InChIInChI=1S/C15H16O2/c1-9-5-6-17-15(9)14(16)13-8-11(3)10(2)7-12(13)4/h5-8H,1-4H3
InChIKeyRXNQECDXKYRXLZ-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)-(2,4,6-trimethylphenyl)methanone
CID 43462607
(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 106691062
(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463104
(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
CID 43462648
(3-bromo-4-methoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463358
3-methylfuran-2-carbonyl iodide
CID 143843611
furan-3-yl-(3-methylfuran-2-yl)methanone
CID 104799450
1H-indol-3-yl-(3-methylfuran-2-yl)methanone
CID 43463194
(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 104799403
(6-bromo-1H-indol-3-yl)-(3-methylfuran-2-yl)methanone
CID 62046005
(3-methylfuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707726
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(3-methylfuran-2-yl)methanone
CID 43463835

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of (3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone (CID 104799584) is (3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for (3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2occc2C)cc1C.
What is the InChIKey of (3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone?
The InChIKey is RXNQECDXKYRXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-5-6-17-15(9)14(16)13-8-11(3)10(2)7-12(13)4/h5-8H,1-4H3.
What are the key properties of (3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone?
(3-methylfuran-2-yl)-(2,4,5-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)-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 104799584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).