(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone

C16H16O2 — CID 114602102

IUPAC(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H16O2/c1-11-15(8-9-18-11)16(17)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12H,2,4-5H2,1H3
InChIKeyZSAQIVIMGWPFHN-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.09
Rot. Bonds3

About (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone

(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone (PubChem CID 114602102) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
PubChem CID114602102
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H16O2/c1-11-15(8-9-18-11)16(17)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12H,2,4-5H2,1H3
InChIKeyZSAQIVIMGWPFHN-UHFFFAOYSA-N
XLogP4.09
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone (CID 114602102) is (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)c1cccc(C2CCC2)c1.
What is the InChIKey of (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone?
The InChIKey is ZSAQIVIMGWPFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-15(8-9-18-11)16(17)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12H,2,4-5H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone?
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone has a molecular weight of 240.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 114602102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).