(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone

C16H18O2 — CID 43462697

IUPAC(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone
SMILESCCC(C)c1ccc(C(=O)c2ccoc2C)cc1
InChIInChI=1S/C16H18O2/c1-4-11(2)13-5-7-14(8-6-13)16(17)15-9-10-18-12(15)3/h5-11H,4H2,1-3H3
InChIKeyCMELLKNGESSPCJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.33
Rot. Bonds4

About (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone

(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone (PubChem CID 43462697) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone
PubChem CID43462697
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone
SMILESCCC(C)c1ccc(C(=O)c2ccoc2C)cc1
InChIInChI=1S/C16H18O2/c1-4-11(2)13-5-7-14(8-6-13)16(17)15-9-10-18-12(15)3/h5-11H,4H2,1-3H3
InChIKeyCMELLKNGESSPCJ-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
CID 115481887
4-(4-butan-2-ylbenzoyl)-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586554
(4-butan-2-ylphenyl)-(furan-3-yl)methanone
CID 43462695
(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
CID 116917421
(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337814
furan-3-yl-(2-methylfuran-3-yl)methanone
CID 104789242
(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 104789232
(4-butan-2-ylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82772598
(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 43337782
(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
CID 104789316
2-methyl-N'-(2-methylbutanoyl)furan-3-carbohydrazide
CID 43042434
2-methyl-1-(2-methylfuran-3-yl)propan-1-one
CID 104789309

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone (CID 43462697) is (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone is CCC(C)c1ccc(C(=O)c2ccoc2C)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone?
The InChIKey is CMELLKNGESSPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-4-11(2)13-5-7-14(8-6-13)16(17)15-9-10-18-12(15)3/h5-11H,4H2,1-3H3.
What are the key properties of (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone?
(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 43462697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).