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

C15H16O2 — CID 43462695

IUPAC(4-butan-2-ylphenyl)-(furan-3-yl)methanone
SMILESCCC(C)c1ccc(C(=O)c2ccoc2)cc1
InChIInChI=1S/C15H16O2/c1-3-11(2)12-4-6-13(7-5-12)15(16)14-8-9-17-10-14/h4-11H,3H2,1-2H3
InChIKeyFLWWCKDELMYNSU-UHFFFAOYSA-N
MW228.29 g/mol
LogP4.02
Rot. Bonds4

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

(4-butan-2-ylphenyl)-(furan-3-yl)methanone (PubChem CID 43462695) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(furan-3-yl)methanone
PubChem CID43462695
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(4-butan-2-ylphenyl)-(furan-3-yl)methanone
SMILESCCC(C)c1ccc(C(=O)c2ccoc2)cc1
InChIInChI=1S/C15H16O2/c1-3-11(2)12-4-6-13(7-5-12)15(16)14-8-9-17-10-14/h4-11H,3H2,1-2H3
InChIKeyFLWWCKDELMYNSU-UHFFFAOYSA-N
XLogP4.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butan-2-ylphenyl)-[4-(methylamino)phenyl]methanone
CID 116917421
(4-butan-2-ylphenyl)-(2-methylfuran-3-yl)methanone
CID 43462697
(4-butan-2-ylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63730810
(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337814
benzoyl chloride;butan-2-ylbenzene;(4-butan-2-ylphenyl)-phenylmethanone;chloromethane
CID 159084487
benzoyl chloride;butan-2-ylbenzene;(4-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 157456534
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanone
CID 82874721
(3-bromo-4-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 107949643
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
4-butan-2-ylbenzohydrazide
CID 83386529
amino 4-butan-2-ylbenzoate
CID 89484351
4-(4-butan-2-ylbenzoyl)-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586554

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(furan-3-yl)methanone?
The IUPAC name of (4-butan-2-ylphenyl)-(furan-3-yl)methanone (CID 43462695) is (4-butan-2-ylphenyl)-(furan-3-yl)methanone.
What is the SMILES notation for (4-butan-2-ylphenyl)-(furan-3-yl)methanone?
The canonical SMILES for (4-butan-2-ylphenyl)-(furan-3-yl)methanone is CCC(C)c1ccc(C(=O)c2ccoc2)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(furan-3-yl)methanone?
The InChIKey is FLWWCKDELMYNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-11(2)12-4-6-13(7-5-12)15(16)14-8-9-17-10-14/h4-11H,3H2,1-2H3.
What are the key properties of (4-butan-2-ylphenyl)-(furan-3-yl)methanone?
(4-butan-2-ylphenyl)-(furan-3-yl)methanone has a molecular weight of 228.29 g/mol, XLogP of 4.02, 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)-(furan-3-yl)methanone is sourced from PubChem (CID 43462695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).