(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone

C16H18O2 — CID 115481887

IUPAC(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
SMILESCCc1ccc(C(=O)c2ccoc2C)cc1CC
InChIInChI=1S/C16H18O2/c1-4-12-6-7-14(10-13(12)5-2)16(17)15-8-9-18-11(15)3/h6-10H,4-5H2,1-3H3
InChIKeyHMAPQCDQRXXEGF-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.94
Rot. Bonds4

About (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone

(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone (PubChem CID 115481887) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
PubChem CID115481887
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
SMILESCCc1ccc(C(=O)c2ccoc2C)cc1CC
InChIInChI=1S/C16H18O2/c1-4-12-6-7-14(10-13(12)5-2)16(17)15-8-9-18-11(15)3/h6-10H,4-5H2,1-3H3
InChIKeyHMAPQCDQRXXEGF-UHFFFAOYSA-N
XLogP3.94
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850
(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone
CID 43462697
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
(3-fluorophenyl)-(2-methylfuran-3-yl)methanone
CID 104789310
(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone
CID 115481807
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
furan-3-yl-(2-methylfuran-3-yl)methanone
CID 104789242
(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 104789232
(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104789248
(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
CID 104789316
(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone
CID 115483333
2-bromo-1-(2-methylfuran-3-yl)ethanone
CID 75360830

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone (CID 115481887) is (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone is CCc1ccc(C(=O)c2ccoc2C)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone?
The InChIKey is HMAPQCDQRXXEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-4-12-6-7-14(10-13(12)5-2)16(17)15-8-9-18-11(15)3/h6-10H,4-5H2,1-3H3.
What are the key properties of (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone?
(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 115481887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).