[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone

C15H14O3S — CID 24723482

IUPAC[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(C2OCCO2)s1
InChIInChI=1S/C15H14O3S/c1-10-4-2-3-5-11(10)14(16)12-6-7-13(19-12)15-17-8-9-18-15/h2-7,15H,8-9H2,1H3
InChIKeyCSEBUXHNXWMADC-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.33
Rot. Bonds3

About [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone

[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone (PubChem CID 24723482) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone
PubChem CID24723482
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(C2OCCO2)s1
InChIInChI=1S/C15H14O3S/c1-10-4-2-3-5-11(10)14(16)12-6-7-13(19-12)15-17-8-9-18-15/h2-7,15H,8-9H2,1H3
InChIKeyCSEBUXHNXWMADC-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylphenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
CID 24723542
ethane;(2-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 142970474
(4-bromophenyl)-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]methanone
CID 24723496
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
(2-methylphenyl)-morpholin-2-ylmethanone
CID 84673271
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
[(2R)-1,4-dioxan-2-yl] 2-methylbenzoate
CID 125480085
[2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone
CID 164915470
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone (CID 24723482) is [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc(C2OCCO2)s1.
What is the InChIKey of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone?
The InChIKey is CSEBUXHNXWMADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-10-4-2-3-5-11(10)14(16)12-6-7-13(19-12)15-17-8-9-18-15/h2-7,15H,8-9H2,1H3.
What are the key properties of [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone?
[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone has a molecular weight of 274.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dioxolan-2-yl)thiophen-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 24723482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).