1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one

C15H16OS — CID 43161377

IUPAC1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
SMILESCc1cc(C(=O)CCc2ccccc2)c(C)s1
InChIInChI=1S/C15H16OS/c1-11-10-14(12(2)17-11)15(16)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyQDSNDYKCMIXPFU-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.18
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one

1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one (PubChem CID 43161377) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
PubChem CID43161377
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
SMILESCc1cc(C(=O)CCc2ccccc2)c(C)s1
InChIInChI=1S/C15H16OS/c1-11-10-14(12(2)17-11)15(16)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyQDSNDYKCMIXPFU-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]propanoic acid
CID 120687425
1-(5-methylthiophen-3-yl)-3-phenylpropan-1-one
CID 58514679
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 7969004
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 146006893
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
CID 24725579
1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
CID 59179659
1-(3-ethyl-6-methylpyridazin-4-yl)-3-phenylpropan-1-one
CID 105080164
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
1-(4-bromo-2,6-dimethylphenyl)-3-phenylpropan-1-one
CID 146011150

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one (CID 43161377) is 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one is Cc1cc(C(=O)CCc2ccccc2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one?
The InChIKey is QDSNDYKCMIXPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11-10-14(12(2)17-11)15(16)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one?
1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one has a molecular weight of 244.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 43161377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).