cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone

C14H16O2 — CID 43297096

IUPACcyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCC1Cc2cc(C(=O)C3CCC3)ccc2O1
InChIInChI=1S/C14H16O2/c1-9-7-12-8-11(5-6-13(12)16-9)14(15)10-3-2-4-10/h5-6,8-10H,2-4,7H2,1H3
InChIKeyHZBDOXZXGVIBEM-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.99
Rot. Bonds2

About cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone

cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (PubChem CID 43297096) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
PubChem CID43297096
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Namecyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
SMILESCC1Cc2cc(C(=O)C3CCC3)ccc2O1
InChIInChI=1S/C14H16O2/c1-9-7-12-8-11(5-6-13(12)16-9)14(15)10-3-2-4-10/h5-6,8-10H,2-4,7H2,1H3
InChIKeyHZBDOXZXGVIBEM-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(1-methylcyclohexyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106826587
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 40544064
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101051
2,2,3,3-tetrafluoro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 114032796
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone
CID 3468963
2-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)benzoic acid
CID 43297113

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The IUPAC name of cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone (CID 43297096) is cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone.
What is the SMILES notation for cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The canonical SMILES for cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is CC1Cc2cc(C(=O)C3CCC3)ccc2O1.
What is the InChIKey of cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
The InChIKey is HZBDOXZXGVIBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-7-12-8-11(5-6-13(12)16-9)14(15)10-3-2-4-10/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone?
cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone has a molecular weight of 216.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 43297096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).