(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone

C16H16O2S — CID 115813197

IUPAC(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cccc(OC3CC3)c2)sc1C
InChIInChI=1S/C16H16O2S/c1-10-8-15(19-11(10)2)16(17)12-4-3-5-14(9-12)18-13-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyWVIFLDZVSSYYFF-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.14
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone

(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 115813197) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
PubChem CID115813197
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cccc(OC3CC3)c2)sc1C
InChIInChI=1S/C16H16O2S/c1-10-8-15(19-11(10)2)16(17)12-4-3-5-14(9-12)18-13-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyWVIFLDZVSSYYFF-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
CID 115791309
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone
CID 115813157
(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105134467
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanone
CID 114521119
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 114521254
1-(3-cyclopropyloxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114521120
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone (CID 115813197) is (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone is Cc1cc(C(=O)c2cccc(OC3CC3)c2)sc1C.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is WVIFLDZVSSYYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-10-8-15(19-11(10)2)16(17)12-4-3-5-14(9-12)18-13-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone?
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 272.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 115813197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).