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

C14H18O2 — CID 115788879

IUPAC(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone
SMILESCCc1cccc(C(=O)C2CCC(C)O2)c1
InChIInChI=1S/C14H18O2/c1-3-11-5-4-6-12(9-11)14(15)13-8-7-10(2)16-13/h4-6,9-10,13H,3,7-8H2,1-2H3
InChIKeyBNLGTSKFGXCUSJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.00
Rot. Bonds3

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

(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone (PubChem CID 115788879) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3-ethylphenyl)-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone
PubChem CID115788879
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone
SMILESCCc1cccc(C(=O)C2CCC(C)O2)c1
InChIInChI=1S/C14H18O2/c1-3-11-5-4-6-12(9-11)14(15)13-8-7-10(2)16-13/h4-6,9-10,13H,3,7-8H2,1-2H3
InChIKeyBNLGTSKFGXCUSJ-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[[(2S,5S)-5-methyloxolane-2-carbonyl]amino]ethyl]benzoic acid
CID 124591584
(3-ethylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944460
(4-ethoxyphenyl)-(5-methyloxolan-2-yl)methanone
CID 81330105
(3-aminocyclopentyl)-(3-ethylphenyl)methanone
CID 116587204
(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(5-methyloxolan-2-yl)methanone
CID 81330010
(5-ethylthiophen-2-yl)-(5-methyloxolan-2-yl)methanone
CID 81331029
(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105120186
(3-aminocyclohexyl)-(3-ethylphenyl)methanone
CID 116568892
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-ethylphenyl)methanone
CID 115788864
2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone
CID 103543782
[3-(chloroamino)cyclohexyl]-(3-ethylphenyl)methanone
CID 130342338
7-(5-methyloxolane-2-carbonyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 81317062

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(5-methyloxolan-2-yl)methanone?
The IUPAC name of (3-ethylphenyl)-(5-methyloxolan-2-yl)methanone (CID 115788879) is (3-ethylphenyl)-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for (3-ethylphenyl)-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for (3-ethylphenyl)-(5-methyloxolan-2-yl)methanone is CCc1cccc(C(=O)C2CCC(C)O2)c1.
What is the InChIKey of (3-ethylphenyl)-(5-methyloxolan-2-yl)methanone?
The InChIKey is BNLGTSKFGXCUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-11-5-4-6-12(9-11)14(15)13-8-7-10(2)16-13/h4-6,9-10,13H,3,7-8H2,1-2H3.
What are the key properties of (3-ethylphenyl)-(5-methyloxolan-2-yl)methanone?
(3-ethylphenyl)-(5-methyloxolan-2-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 115788879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).