1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one

C18H22O2 — CID 122215697

IUPAC1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Cc2ccccc2)oc1C(C)C
InChIInChI=1S/C18H22O2/c1-12(2)17(19)16-11-15(20-18(16)13(3)4)10-14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3
InChIKeyRUPKLRNBSFSEAE-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.83
Rot. Bonds5

About 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one

1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one (PubChem CID 122215697) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one
PubChem CID122215697
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Cc2ccccc2)oc1C(C)C
InChIInChI=1S/C18H22O2/c1-12(2)17(19)16-11-15(20-18(16)13(3)4)10-14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3
InChIKeyRUPKLRNBSFSEAE-UHFFFAOYSA-N
XLogP4.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-benzyl-2-methylfuran-3-yl)methyl (2S)-2-(4-chloroanilino)-3-methylbutanoate
CID 154121550
3-benzyl-5-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxybenzoic acid
CID 139751253
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
3-methyl-1-phenylmethoxybutan-2-one
CID 22953611
1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
CID 83988494
1-(2-benzyl-4-phenyl-5-propan-2-yl-1H-pyrrol-3-yl)-2-methylpropan-1-one
CID 53440409
5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
5-benzyl-1,2-oxazol-3-one
CID 13352927
3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 15617916
methyl 6-benzyl-4-oxopyran-3-carboxylate
CID 54671421
N'-[2-(2-benzylphenoxy)acetyl]-4-methylpentanehydrazide
CID 34756829
4-benzyl-6-[(4-hydroxy-3-propan-2-ylphenyl)methyl]benzene-1,2,3-triol
CID 58626406

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one (CID 122215697) is 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc(Cc2ccccc2)oc1C(C)C.
What is the InChIKey of 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one?
The InChIKey is RUPKLRNBSFSEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-12(2)17(19)16-11-15(20-18(16)13(3)4)10-14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3.
What are the key properties of 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one?
1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one has a molecular weight of 270.37 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-2-propan-2-ylfuran-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 122215697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).