1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one

C14H20O2S — CID 116750876

IUPAC1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
SMILESCOC(C(=O)Cc1cccs1)C1CCCCC1
InChIInChI=1S/C14H20O2S/c1-16-14(11-6-3-2-4-7-11)13(15)10-12-8-5-9-17-12/h5,8-9,11,14H,2-4,6-7,10H2,1H3
InChIKeyZLBKLIBQXZRQEU-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.45
Rot. Bonds5

About 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one

1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one (PubChem CID 116750876) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
PubChem CID116750876
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one
SMILESCOC(C(=O)Cc1cccs1)C1CCCCC1
InChIInChI=1S/C14H20O2S/c1-16-14(11-6-3-2-4-7-11)13(15)10-12-8-5-9-17-12/h5,8-9,11,14H,2-4,6-7,10H2,1H3
InChIKeyZLBKLIBQXZRQEU-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromothiophen-2-yl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116751115
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-methoxypropan-2-one
CID 116751104
3-methoxy-1-thiophen-2-ylbutan-2-one
CID 79616178
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
3-methoxy-1-thiophen-2-ylhexan-2-one
CID 116708019
3-amino-4-cyclopropyl-1-thiophen-2-ylbutan-2-one
CID 82395020
2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
CID 54966664
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-one
CID 116750878
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
CID 114931443
methyl 2-cyclohexyl-2-thiophen-2-ylacetate
CID 6453195
1-(cyclopentylamino)-3-thiophen-2-ylpropan-2-one
CID 116558991

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one (CID 116750876) is 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one is COC(C(=O)Cc1cccs1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one?
The InChIKey is ZLBKLIBQXZRQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-16-14(11-6-3-2-4-7-11)13(15)10-12-8-5-9-17-12/h5,8-9,11,14H,2-4,6-7,10H2,1H3.
What are the key properties of 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one?
1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one has a molecular weight of 252.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxy-3-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 116750876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).