1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone

C14H18O2 — CID 103986180

IUPAC1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
SMILESCc1cccc(C(=O)CC2CCOC2)c1C
InChIInChI=1S/C14H18O2/c1-10-4-3-5-13(11(10)2)14(15)8-12-6-7-16-9-12/h3-5,12H,6-9H2,1-2H3
InChIKeyPPDJKHMPICNKJS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.91
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone

1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone (PubChem CID 103986180) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
PubChem CID103986180
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
SMILESCc1cccc(C(=O)CC2CCOC2)c1C
InChIInChI=1S/C14H18O2/c1-10-4-3-5-13(11(10)2)14(15)8-12-6-7-16-9-12/h3-5,12H,6-9H2,1-2H3
InChIKeyPPDJKHMPICNKJS-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzoyldihydro-3H-furan-2-one
CID 229759
Ethyl 2-(3-benzoylphenyl)propanoate
CID 9878873
Ethyl (3-methyl-1,4-dioxo-1,4-dhydro-2-naphthyl)acetate
CID 611429
6-(2-methoxyethyl)-2,5,7-trimethyl-2,3-dihydro-1H-inden-1-one
CID 53462368
4-(4-Methylbenzoyl)oxolan-2-one
CID 3241447
Ethyl 2,3-dihydro-1-oxo-1H-indene-4-propanoate
CID 3241710
Ethyl 4-[2-(2,4-dimethylphenyl)-1-methyl-2-oxoethyl]-5,5-dimethyl-2-oxotetrahydro-3-furancarboxylate
CID 2963050
8-[2-(3,3-Dimethyloxiran-2-yl)ethyl]-7-methyl-3-propan-2-ylnaphthalene-1,2-dione
CID 10892341
Pterosin O
CID 135255
3-Benzoyloxolan-2-one
CID 307945
Ethyl 6-oxo-6-phenylhexanoate
CID 3681727
Ethyl 2-benzoyl-3-methylbutanoate
CID 254519

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone (CID 103986180) is 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone is Cc1cccc(C(=O)CC2CCOC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone?
The InChIKey is PPDJKHMPICNKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-4-3-5-13(11(10)2)14(15)8-12-6-7-16-9-12/h3-5,12H,6-9H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone?
1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 103986180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).