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

C15H16O2S — CID 115791309

IUPAC(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2cc(C)c(C)s2)c1
InChIInChI=1S/C15H16O2S/c1-4-17-13-7-5-6-12(9-13)15(16)14-8-10(2)11(3)18-14/h5-9H,4H2,1-3H3
InChIKeyYNPFNUXCMIEFTH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.99
Rot. Bonds4

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

(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone (PubChem CID 115791309) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
PubChem CID115791309
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone
SMILESCCOc1cccc(C(=O)c2cc(C)c(C)s2)c1
InChIInChI=1S/C15H16O2S/c1-4-17-13-7-5-6-12(9-13)15(16)14-8-10(2)11(3)18-14/h5-9H,4H2,1-3H3
InChIKeyYNPFNUXCMIEFTH-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197
1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone
CID 115791389
(4,5-dimethylthiophen-2-yl)-(3-methylphenyl)methanone
CID 114962640
N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide
CID 35768961
(3-ethoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 115791255
methyl 3-ethoxybenzoate
CID 3267781
3-(3-ethoxyphenyl)-3-oxopropanal
CID 55266464
(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 79996537
(3-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62801807
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915
(3-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62797135
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone (CID 115791309) is (4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone is CCOc1cccc(C(=O)c2cc(C)c(C)s2)c1.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone?
The InChIKey is YNPFNUXCMIEFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-4-17-13-7-5-6-12(9-13)15(16)14-8-10(2)11(3)18-14/h5-9H,4H2,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone?
(4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone has a molecular weight of 260.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(3-ethoxyphenyl)methanone is sourced from PubChem (CID 115791309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).