1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one

C14H14O2S — CID 67807778

IUPAC1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Oc2cc(C)cs2)cc1
InChIInChI=1S/C14H14O2S/c1-10-7-14(17-9-10)16-13-5-3-12(4-6-13)8-11(2)15/h3-7,9H,8H2,1-2H3
InChIKeyDYHNXOPCWYLTSB-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.98
Rot. Bonds4

About 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one

1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one (PubChem CID 67807778) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one
PubChem CID67807778
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one
SMILESCC(=O)Cc1ccc(Oc2cc(C)cs2)cc1
InChIInChI=1S/C14H14O2S/c1-10-7-14(17-9-10)16-13-5-3-12(4-6-13)8-11(2)15/h3-7,9H,8H2,1-2H3
InChIKeyDYHNXOPCWYLTSB-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one?
The IUPAC name of 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one (CID 67807778) is 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one.
What is the SMILES notation for 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one?
The canonical SMILES for 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one is CC(=O)Cc1ccc(Oc2cc(C)cs2)cc1.
What is the InChIKey of 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one?
The InChIKey is DYHNXOPCWYLTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-10-7-14(17-9-10)16-13-5-3-12(4-6-13)8-11(2)15/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one?
1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one has a molecular weight of 246.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylthiophen-2-yl)oxyphenyl]propan-2-one is sourced from PubChem (CID 67807778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).