1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one

C13H18O2S — CID 103449732

IUPAC1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1(O)CCCCC1
InChIInChI=1S/C13H18O2S/c14-12(7-6-11-5-4-10-16-11)13(15)8-2-1-3-9-13/h4-5,10,15H,1-3,6-9H2
InChIKeyNNTJOHDTFXRMBZ-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.94
Rot. Bonds4

About 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one

1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 103449732) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
PubChem CID103449732
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)C1(O)CCCCC1
InChIInChI=1S/C13H18O2S/c14-12(7-6-11-5-4-10-16-11)13(15)8-2-1-3-9-13/h4-5,10,15H,1-3,6-9H2
InChIKeyNNTJOHDTFXRMBZ-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(dimethylamino)cycloheptyl]-3-thiophen-2-ylpropan-1-one
CID 79074938
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-one
CID 79058490
1-(3-methylpiperidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 116569436
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 1-hydroxycyclohexane-1-carboxylate
CID 24626790
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
1-cyclohexyl-4-thiophen-2-ylbutan-2-one
CID 114973276
1-[(2-thiophen-2-ylethylamino)methyl]cycloheptan-1-ol
CID 60900091
N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
CID 111333038
2-[1-[(3-thiophen-2-ylpropanoylamino)methyl]cyclobutyl]acetic acid
CID 81164192
1-(4,4-difluorocyclohexyl)-3-thiophen-2-ylpropan-1-one
CID 105101468
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 63134703
1-[methyl(4-thiophen-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120540062

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one (CID 103449732) is 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is NNTJOHDTFXRMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c14-12(7-6-11-5-4-10-16-11)13(15)8-2-1-3-9-13/h4-5,10,15H,1-3,6-9H2.
What are the key properties of 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one?
1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 238.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 103449732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).