(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone

C16H18O2S — CID 82054009

IUPAC(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone
SMILESCCOc1ccc(C(C)C)cc1C(=O)c1cccs1
InChIInChI=1S/C16H18O2S/c1-4-18-14-8-7-12(11(2)3)10-13(14)16(17)15-6-5-9-19-15/h5-11H,4H2,1-3H3
InChIKeyKODGYWPNRDOUNC-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.50
Rot. Bonds5

About (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone

(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone (PubChem CID 82054009) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone
PubChem CID82054009
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone
SMILESCCOc1ccc(C(C)C)cc1C(=O)c1cccs1
InChIInChI=1S/C16H18O2S/c1-4-18-14-8-7-12(11(2)3)10-13(14)16(17)15-6-5-9-19-15/h5-11H,4H2,1-3H3
InChIKeyKODGYWPNRDOUNC-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone
CID 82053103
[5-(2,4-dichlorophenyl)-2-ethoxyphenyl]-thiophen-2-ylmethanone
CID 90733017
(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
CID 82051969
(5-ethyl-2-methoxyphenyl)-thiophen-2-ylmethanone
CID 58753986
(E)-4-(2-ethoxy-5-propan-2-ylphenyl)-4-oxobut-2-enoic acid
CID 82053981
N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9418935
1-[2,5-dimethoxy-4-(thiophene-2-carbonyl)phenyl]propan-2-ylcarbamic acid
CID 143432123
ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate
CID 54165251
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
CID 82053341
1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053998
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 82054000

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone (CID 82054009) is (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone is CCOc1ccc(C(C)C)cc1C(=O)c1cccs1.
What is the InChIKey of (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone?
The InChIKey is KODGYWPNRDOUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-4-18-14-8-7-12(11(2)3)10-13(14)16(17)15-6-5-9-19-15/h5-11H,4H2,1-3H3.
What are the key properties of (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone?
(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone has a molecular weight of 274.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82054009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).