(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone

C16H20O2 — CID 115814724

IUPAC(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)c2cccc(C3CCC3)c2)O1
InChIInChI=1S/C16H20O2/c1-11-8-9-15(18-11)16(17)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-7,10-12,15H,2,4-5,8-9H2,1H3
InChIKeyJESONUVFLXLMHW-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.70
Rot. Bonds3

About (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone

(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone (PubChem CID 115814724) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone
PubChem CID115814724
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)c2cccc(C3CCC3)c2)O1
InChIInChI=1S/C16H20O2/c1-11-8-9-15(18-11)16(17)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-7,10-12,15H,2,4-5,8-9H2,1H3
InChIKeyJESONUVFLXLMHW-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115788879
3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone
CID 115814566
azetidin-3-yl-(3-cyclobutylphenyl)methanone
CID 114607630
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
(3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 114601991
(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(5-methyloxolan-2-yl)methanone
CID 81330010
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
methyl 3-cyclohexylbenzoate
CID 67160762
(3-cyclobutylphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 114602138
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
CID 114602102
1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
CID 114602128

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone?
The IUPAC name of (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone (CID 115814724) is (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)c2cccc(C3CCC3)c2)O1.
What is the InChIKey of (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone?
The InChIKey is JESONUVFLXLMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11-8-9-15(18-11)16(17)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-7,10-12,15H,2,4-5,8-9H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone?
(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone has a molecular weight of 244.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 115814724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).