(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone

C15H16O2S — CID 82051969

IUPAC(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
SMILESCCCOc1ccc(C)cc1C(=O)c1cccs1
InChIInChI=1S/C15H16O2S/c1-3-8-17-13-7-6-11(2)10-12(13)15(16)14-5-4-9-18-14/h4-7,9-10H,3,8H2,1-2H3
InChIKeyYVVBHFIKRHOLCF-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.08
Rot. Bonds5

About (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone

(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone (PubChem CID 82051969) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
PubChem CID82051969
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
SMILESCCCOc1ccc(C)cc1C(=O)c1cccs1
InChIInChI=1S/C15H16O2S/c1-3-8-17-13-7-6-11(2)10-12(13)15(16)14-5-4-9-18-14/h4-7,9-10H,3,8H2,1-2H3
InChIKeyYVVBHFIKRHOLCF-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone
CID 5151105
(5-ethyl-2-methoxyphenyl)-thiophen-2-ylmethanone
CID 58753986
(2-ethoxy-5-propan-2-ylphenyl)-thiophen-2-ylmethanone
CID 82054009
2-[2-[4-(2,5-dimethylphenyl)-2-(thiophene-2-carbonyl)phenoxy]ethyl-methylamino]acetic acid
CID 154457318
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
CID 55220019
4-(2,4-dimethylphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793557
(5-chloro-2-ethoxy-4-methylphenyl)-thiophen-2-ylmethanone
CID 82053103
3-chloro-1-(5-methyl-2-propoxyphenyl)propan-1-one
CID 82051946
(5-bromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 63496583
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
CID 13404184

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone (CID 82051969) is (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone is CCCOc1ccc(C)cc1C(=O)c1cccs1.
What is the InChIKey of (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone?
The InChIKey is YVVBHFIKRHOLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-3-8-17-13-7-6-11(2)10-12(13)15(16)14-5-4-9-18-14/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone?
(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone has a molecular weight of 260.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 82051969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).